N-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide

C17H15N5O2S2 — CID 8722417

About N-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide

N-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide (PubChem CID 8722417) has the molecular formula C17H15N5O2S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide
• PubChem CID: 8722417
• Molecular Formula: C17H15N5O2S2
• Molecular Weight: 385.47 g/mol
• Exact Mass: 385.07
• IUPAC Name: N-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide
• SMILES: O=C(CSc1nnc(-c2ccncc2)n1C1CC1)NC(=O)c1cccs1
• InChI: InChI=1S/C17H15N5O2S2/c23-14(19-16(24)13-2-1-9-25-13)10-26-17-21-20-15(22(17)12-3-4-12)11-5-7-18-8-6-11/h1-2,5-9,12H,3-4,10H2,(H,19,23,24)
• InChIKey: VVFWMKSZVYUSNJ-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 89.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.47
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide?

The IUPAC name of N-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide (CID 8722417) is N-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide?

The canonical SMILES for N-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide is O=C(CSc1nnc(-c2ccncc2)n1C1CC1)NC(=O)c1cccs1.

What is the InChIKey of N-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide?

The InChIKey is VVFWMKSZVYUSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S2/c23-14(19-16(24)13-2-1-9-25-13)10-26-17-21-20-15(22(17)12-3-4-12)11-5-7-18-8-6-11/h1-2,5-9,12H,3-4,10H2,(H,19,23,24).

What are the key properties of N-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide?

N-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide is sourced from PubChem (CID 8722417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).