4-cyclopropyl-3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole

C18H19N3OS2 — CID 7648811

IUPAC4-cyclopropyl-3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole
SMILESCOc1ccc(C)cc1CSc1nnc(-c2cccs2)n1C1CC1
InChIInChI=1S/C18H19N3OS2/c1-12-5-8-15(22-2)13(10-12)11-24-18-20-19-17(16-4-3-9-23-16)21(18)14-6-7-14/h3-5,8-10,14H,6-7,11H2,1-2H3
InChIKeyJBIPUKFQZYWXGQ-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.95
Rot. Bonds6

About 4-cyclopropyl-3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole

4-cyclopropyl-3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole (PubChem CID 7648811) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 4-cyclopropyl-3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopropyl-3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole
PubChem CID7648811
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC Name4-cyclopropyl-3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole
SMILESCOc1ccc(C)cc1CSc1nnc(-c2cccs2)n1C1CC1
InChIInChI=1S/C18H19N3OS2/c1-12-5-8-15(22-2)13(10-12)11-24-18-20-19-17(16-4-3-9-23-16)21(18)14-6-7-14/h3-5,8-10,14H,6-7,11H2,1-2H3
InChIKeyJBIPUKFQZYWXGQ-UHFFFAOYSA-N
XLogP4.95
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-cyclopropyl-3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole?
The IUPAC name of 4-cyclopropyl-3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole (CID 7648811) is 4-cyclopropyl-3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole.
What is the SMILES notation for 4-cyclopropyl-3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole?
The canonical SMILES for 4-cyclopropyl-3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole is COc1ccc(C)cc1CSc1nnc(-c2cccs2)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole?
The InChIKey is JBIPUKFQZYWXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS2/c1-12-5-8-15(22-2)13(10-12)11-24-18-20-19-17(16-4-3-9-23-16)21(18)14-6-7-14/h3-5,8-10,14H,6-7,11H2,1-2H3.
What are the key properties of 4-cyclopropyl-3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole?
4-cyclopropyl-3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole has a molecular weight of 357.50 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole is sourced from PubChem (CID 7648811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).