ID: ALA625

Max Phase: Approved

First Approval: 1967

Molecular Formula: C10H7N3S

Molecular Weight: 201.25

Molecule Type: Small molecule

Representations

Synonyms (10): Lombristop | Minzolum | Nemapan | Omnizole | Pitrizet | Thiabendazole | Thiabenzole | MK-360 | NSC-525040 | NSC-90507
Synonyms from Alternative Forms(10):

Trade Names(4): Equizole | Mintezol | Omnizole | Tiabendazole

Canonical SMILES:  c1ccc2[nH]c(-c3cscn3)nc2c1

Standard InChI:  InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)

Standard InChI Key:  WJCNZQLZVWNLKY-UHFFFAOYSA-N

Molecule Features

Natural Product: Yes

Oral: Yes

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: Yes

Availability: No

Prodrug: No

Properties

Molecular Weight: 201.25

Molecular Weight (Monoisotopic): 201.0361

AlogP: 2.69

#Rotatable Bonds: 1

Polar Surface Area: 41.57

Molecular Species: NEUTRAL

HBA: 3

HBD: 1

#RO5 Violations: 0

HBA (Lipinski): 3

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 10.28

CX Basic pKa: 4.08

CX LogP: 2.33

CX LogD: 2.33

Aromatic Rings: 3

Heavy Atoms: 14

QED Weighted: 0.66

Np Likeness Score: -1.73

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Source

Source(13):

• Scientific Literature
• PubChem BioAssays
• FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book)
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• DrugMatrix
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• Zimmerman Lab Biotransformation data Dec 2023