N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C15H15N5OS2 — CID 51079734

About N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 51079734) has the molecular formula C15H15N5OS2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
• PubChem CID: 51079734
• Molecular Formula: C15H15N5OS2
• Molecular Weight: 345.45 g/mol
• Exact Mass: 345.07
• IUPAC Name: N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
• SMILES: O=C(NCCc1nnc2n1CCC2)c1csc(-c2ccsc2)n1
• InChI: InChI=1S/C15H15N5OS2/c21-14(11-9-23-15(17-11)10-4-7-22-8-10)16-5-3-13-19-18-12-2-1-6-20(12)13/h4,7-9H,1-3,5-6H2,(H,16,21)
• InChIKey: ZSCQNJHGMAENEW-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.45
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 51079734) is N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is O=C(NCCc1nnc2n1CCC2)c1csc(-c2ccsc2)n1.

What is the InChIKey of N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?

The InChIKey is ZSCQNJHGMAENEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS2/c21-14(11-9-23-15(17-11)10-4-7-22-8-10)16-5-3-13-19-18-12-2-1-6-20(12)13/h4,7-9H,1-3,5-6H2,(H,16,21).

What are the key properties of N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?

N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51079734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).