2-[5-[1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]thiophen-3-yl]-1,3-thiazole-4-carboxamide

C12H11N5O2S2 — CID 141020255

IUPAC2-[5-[1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]thiophen-3-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2csc(C(O)Cn3cncn3)c2)n1
InChIInChI=1S/C12H11N5O2S2/c13-11(19)8-4-21-12(16-8)7-1-10(20-3-7)9(18)2-17-6-14-5-15-17/h1,3-6,9,18H,2H2,(H2,13,19)
InChIKeyIJTXZOGXLBKHID-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.30
Rot. Bonds5

About 2-[5-[1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]thiophen-3-yl]-1,3-thiazole-4-carboxamide

2-[5-[1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]thiophen-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 141020255) has the molecular formula C12H11N5O2S2 and a molecular weight of 321.39 g/mol. Its IUPAC name is 2-[5-[1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]thiophen-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[5-[1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]thiophen-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID141020255
Molecular FormulaC12H11N5O2S2
Molecular Weight321.39 g/mol
Exact Mass321.04
IUPAC Name2-[5-[1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]thiophen-3-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2csc(C(O)Cn3cncn3)c2)n1
InChIInChI=1S/C12H11N5O2S2/c13-11(19)8-4-21-12(16-8)7-1-10(20-3-7)9(18)2-17-6-14-5-15-17/h1,3-6,9,18H,2H2,(H2,13,19)
InChIKeyIJTXZOGXLBKHID-UHFFFAOYSA-N
XLogP1.30
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]thiophen-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[5-[1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]thiophen-3-yl]-1,3-thiazole-4-carboxamide (CID 141020255) is 2-[5-[1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]thiophen-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[5-[1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]thiophen-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[5-[1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]thiophen-3-yl]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(-c2csc(C(O)Cn3cncn3)c2)n1.
What is the InChIKey of 2-[5-[1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]thiophen-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is IJTXZOGXLBKHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S2/c13-11(19)8-4-21-12(16-8)7-1-10(20-3-7)9(18)2-17-6-14-5-15-17/h1,3-6,9,18H,2H2,(H2,13,19).
What are the key properties of 2-[5-[1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]thiophen-3-yl]-1,3-thiazole-4-carboxamide?
2-[5-[1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]thiophen-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 321.39 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]thiophen-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 141020255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).