5-[(2S)-pyrrolidin-2-yl]-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide

C12H13N5OS — CID 31017599

IUPAC5-[(2S)-pyrrolidin-2-yl]-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nccnn1)c1ccc([C@@H]2CCCN2)s1
InChIInChI=1S/C12H13N5OS/c18-11(16-12-14-6-7-15-17-12)10-4-3-9(19-10)8-2-1-5-13-8/h3-4,6-8,13H,1-2,5H2,(H,14,16,17,18)/t8-/m0/s1
InChIKeyWJCRHODYFPOGHP-QMMMGPOBSA-N
MW275.34 g/mol
LogP1.61
Rot. Bonds3

About 5-[(2S)-pyrrolidin-2-yl]-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide

5-[(2S)-pyrrolidin-2-yl]-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide (PubChem CID 31017599) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 5-[(2S)-pyrrolidin-2-yl]-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2S)-pyrrolidin-2-yl]-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide
PubChem CID31017599
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name5-[(2S)-pyrrolidin-2-yl]-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nccnn1)c1ccc([C@@H]2CCCN2)s1
InChIInChI=1S/C12H13N5OS/c18-11(16-12-14-6-7-15-17-12)10-4-3-9(19-10)8-2-1-5-13-8/h3-4,6-8,13H,1-2,5H2,(H,14,16,17,18)/t8-/m0/s1
InChIKeyWJCRHODYFPOGHP-QMMMGPOBSA-N
XLogP1.61
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyridin-2-yl-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45236193
N-(2-chloro-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide
CID 31223583
methyl 2-[(5-pyrrolidin-2-ylthiophene-2-carbonyl)amino]pyridine-4-carboxylate
CID 45251024
N-(6-oxo-1H-pyridin-3-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 166305537
N-(2-fluoroethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45208476
methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate
CID 130001149
N-(2-phenylethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45178110
N,N,4-trimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]thiophene-2-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 31044771
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45189077
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide
CID 29153043
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 166261151
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45185745

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-pyrrolidin-2-yl]-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-[(2S)-pyrrolidin-2-yl]-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide (CID 31017599) is 5-[(2S)-pyrrolidin-2-yl]-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[(2S)-pyrrolidin-2-yl]-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-[(2S)-pyrrolidin-2-yl]-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide is O=C(Nc1nccnn1)c1ccc([C@@H]2CCCN2)s1.
What is the InChIKey of 5-[(2S)-pyrrolidin-2-yl]-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide?
The InChIKey is WJCRHODYFPOGHP-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13N5OS/c18-11(16-12-14-6-7-15-17-12)10-4-3-9(19-10)8-2-1-5-13-8/h3-4,6-8,13H,1-2,5H2,(H,14,16,17,18)/t8-/m0/s1.
What are the key properties of 5-[(2S)-pyrrolidin-2-yl]-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide?
5-[(2S)-pyrrolidin-2-yl]-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide has a molecular weight of 275.34 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-pyrrolidin-2-yl]-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 31017599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).