N-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide

C19H21N5OS2 — CID 24619157

About N-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide

N-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 24619157) has the molecular formula C19H21N5OS2 and a molecular weight of 399.55 g/mol. Its IUPAC name is N-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
• PubChem CID: 24619157
• Molecular Formula: C19H21N5OS2
• Molecular Weight: 399.55 g/mol
• Exact Mass: 399.12
• IUPAC Name: N-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
• SMILES: CCc1ccccc1N(C(C)=O)c1nc(CSc2n[nH]c(C3CC3)n2)cs1
• InChI: InChI=1S/C19H21N5OS2/c1-3-13-6-4-5-7-16(13)24(12(2)25)19-20-15(11-27-19)10-26-18-21-17(22-23-18)14-8-9-14/h4-7,11,14H,3,8-10H2,1-2H3,(H,21,22,23)
• InChIKey: PWKABNGBIFTSNT-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.55
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?

The IUPAC name of N-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide (CID 24619157) is N-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide.

What is the SMILES notation for N-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?

The canonical SMILES for N-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1N(C(C)=O)c1nc(CSc2n[nH]c(C3CC3)n2)cs1.

What is the InChIKey of N-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?

The InChIKey is PWKABNGBIFTSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS2/c1-3-13-6-4-5-7-16(13)24(12(2)25)19-20-15(11-27-19)10-26-18-21-17(22-23-18)14-8-9-14/h4-7,11,14H,3,8-10H2,1-2H3,(H,21,22,23).

What are the key properties of N-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?

N-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 399.55 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 24619157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).