1-(2-hydroxy-2-thiophen-3-ylethyl)-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide

C16H18N4O2S2 — CID 91624267

IUPAC1-(2-hydroxy-2-thiophen-3-ylethyl)-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide
SMILESCCC(NC(=O)c1cn(CC(O)c2ccsc2)nn1)c1cccs1
InChIInChI=1S/C16H18N4O2S2/c1-2-12(15-4-3-6-24-15)17-16(22)13-8-20(19-18-13)9-14(21)11-5-7-23-10-11/h3-8,10,12,14,21H,2,9H2,1H3,(H,17,22)
InChIKeyPWYSXJGCGNWCLR-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.02
Rot. Bonds7

About 1-(2-hydroxy-2-thiophen-3-ylethyl)-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide

1-(2-hydroxy-2-thiophen-3-ylethyl)-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide (PubChem CID 91624267) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-3-ylethyl)-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-3-ylethyl)-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide
PubChem CID91624267
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC Name1-(2-hydroxy-2-thiophen-3-ylethyl)-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide
SMILESCCC(NC(=O)c1cn(CC(O)c2ccsc2)nn1)c1cccs1
InChIInChI=1S/C16H18N4O2S2/c1-2-12(15-4-3-6-24-15)17-16(22)13-8-20(19-18-13)9-14(21)11-5-7-23-10-11/h3-8,10,12,14,21H,2,9H2,1H3,(H,17,22)
InChIKeyPWYSXJGCGNWCLR-UHFFFAOYSA-N
XLogP3.02
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylethyl)-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide?
The IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylethyl)-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide (CID 91624267) is 1-(2-hydroxy-2-thiophen-3-ylethyl)-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-3-ylethyl)-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-3-ylethyl)-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide is CCC(NC(=O)c1cn(CC(O)c2ccsc2)nn1)c1cccs1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-3-ylethyl)-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide?
The InChIKey is PWYSXJGCGNWCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c1-2-12(15-4-3-6-24-15)17-16(22)13-8-20(19-18-13)9-14(21)11-5-7-23-10-11/h3-8,10,12,14,21H,2,9H2,1H3,(H,17,22).
What are the key properties of 1-(2-hydroxy-2-thiophen-3-ylethyl)-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide?
1-(2-hydroxy-2-thiophen-3-ylethyl)-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-thiophen-3-ylethyl)-N-(1-thiophen-2-ylpropyl)triazole-4-carboxamide is sourced from PubChem (CID 91624267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).