2-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)-3-thiophen-2-ylpropanamide

C14H14N6OS — CID 167825486

IUPAC2-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)-3-thiophen-2-ylpropanamide
SMILESCC(Cc1cccs1)C(=O)Nc1ncnn1-c1ncccn1
InChIInChI=1S/C14H14N6OS/c1-10(8-11-4-2-7-22-11)12(21)19-14-17-9-18-20(14)13-15-5-3-6-16-13/h2-7,9-10H,8H2,1H3,(H,17,18,19,21)
InChIKeyRAYXIECHXOPVGH-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.94
Rot. Bonds5

About 2-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)-3-thiophen-2-ylpropanamide

2-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)-3-thiophen-2-ylpropanamide (PubChem CID 167825486) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)-3-thiophen-2-ylpropanamide
PubChem CID167825486
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name2-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)-3-thiophen-2-ylpropanamide
SMILESCC(Cc1cccs1)C(=O)Nc1ncnn1-c1ncccn1
InChIInChI=1S/C14H14N6OS/c1-10(8-11-4-2-7-22-11)12(21)19-14-17-9-18-20(14)13-15-5-3-6-16-13/h2-7,9-10H,8H2,1H3,(H,17,18,19,21)
InChIKeyRAYXIECHXOPVGH-UHFFFAOYSA-N
XLogP1.94
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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(2R)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
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(2S,4S)-2-cyano-4-methyl-3-oxo-N-propan-2-yl-5-thiophen-2-ylpentanamide
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2-[(2-methyl-3-sulfanylpropanoyl)amino]-3-thiophen-2-ylpropanoic acid
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(2S)-2-methyl-3-thiophen-2-yl-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
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2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
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N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide
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2-methyl-N-phenyl-3-(1,3-thiazol-2-yl)propanamide
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2-methyl-3-(methylamino)-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722730
(2R)-2-imidazol-1-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 2-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)-3-thiophen-2-ylpropanamide (CID 167825486) is 2-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 2-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 2-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)-3-thiophen-2-ylpropanamide is CC(Cc1cccs1)C(=O)Nc1ncnn1-c1ncccn1.
What is the InChIKey of 2-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is RAYXIECHXOPVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c1-10(8-11-4-2-7-22-11)12(21)19-14-17-9-18-20(14)13-15-5-3-6-16-13/h2-7,9-10H,8H2,1H3,(H,17,18,19,21).
What are the key properties of 2-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)-3-thiophen-2-ylpropanamide?
2-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 314.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 167825486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).