4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole

C19H22N4S2 — CID 8723527

About 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole

4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole (PubChem CID 8723527) has the molecular formula C19H22N4S2 and a molecular weight of 370.55 g/mol. Its IUPAC name is 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole.

Molecular Properties

• Compound Name: 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
• PubChem CID: 8723527
• Molecular Formula: C19H22N4S2
• Molecular Weight: 370.55 g/mol
• Exact Mass: 370.13
• IUPAC Name: 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
• SMILES: Cc1nnc(SCc2csc(-c3ccc(C(C)C)cc3)n2)n1C1CC1
• InChI: InChI=1S/C19H22N4S2/c1-12(2)14-4-6-15(7-5-14)18-20-16(10-24-18)11-25-19-22-21-13(3)23(19)17-8-9-17/h4-7,10,12,17H,8-9,11H2,1-3H3
• InChIKey: HCGWIWFTGFXSGF-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 43.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.55
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?

The IUPAC name of 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole (CID 8723527) is 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole.

What is the SMILES notation for 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?

The canonical SMILES for 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole is Cc1nnc(SCc2csc(-c3ccc(C(C)C)cc3)n2)n1C1CC1.

What is the InChIKey of 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?

The InChIKey is HCGWIWFTGFXSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S2/c1-12(2)14-4-6-15(7-5-14)18-20-16(10-24-18)11-25-19-22-21-13(3)23(19)17-8-9-17/h4-7,10,12,17H,8-9,11H2,1-3H3.

What are the key properties of 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?

4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole has a molecular weight of 370.55 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole is sourced from PubChem (CID 8723527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).