N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C15H13N5OS — CID 51096870

IUPACN-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)c1cc2c(s1)CCC2
InChIInChI=1S/C15H13N5OS/c21-14(12-8-9-4-3-6-11(9)22-12)18-15-17-13(19-20-15)10-5-1-2-7-16-10/h1-2,5,7-8H,3-4,6H2,(H2,17,18,19,20,21)
InChIKeyNUAOBSYFCAYWSE-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.67
Rot. Bonds3

About N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 51096870) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID51096870
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC NameN-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)c1cc2c(s1)CCC2
InChIInChI=1S/C15H13N5OS/c21-14(12-8-9-4-3-6-11(9)22-12)18-15-17-13(19-20-15)10-5-1-2-7-16-10/h1-2,5,7-8H,3-4,6H2,(H2,17,18,19,20,21)
InChIKeyNUAOBSYFCAYWSE-UHFFFAOYSA-N
XLogP2.67
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 167966566
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 55729990
N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 167798076
(1R)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95049996
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide
CID 51081301
N-[2-(1H-1,2,4-triazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 71910449
N-(1H-1,2,4-triazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 60659864
4-bromo-2-chloro-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 47057842
N-(pyrimidin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 166229920
4-morpholin-4-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide
CID 167849051
N'-(2-naphthalen-2-yloxyacetyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684541
N-[3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 47057844

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 51096870) is N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cc2c(s1)CCC2.
What is the InChIKey of N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is NUAOBSYFCAYWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c21-14(12-8-9-4-3-6-11(9)22-12)18-15-17-13(19-20-15)10-5-1-2-7-16-10/h1-2,5,7-8H,3-4,6H2,(H2,17,18,19,20,21).
What are the key properties of N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 51096870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).