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

C15H14N6OS — CID 167800190

IUPACN-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide
SMILESO=C(NCc1nc(-c2ccccn2)n[nH]1)c1nc2c(s1)CCC2
InChIInChI=1S/C15H14N6OS/c22-14(15-18-9-5-3-6-11(9)23-15)17-8-12-19-13(21-20-12)10-4-1-2-7-16-10/h1-2,4,7H,3,5-6,8H2,(H,17,22)(H,19,20,21)
InChIKeyAQNURLKYPBUABW-UHFFFAOYSA-N
MW326.38 g/mol
LogP1.74
Rot. Bonds4

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

N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide (PubChem CID 167800190) has the molecular formula C15H14N6OS and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide
PubChem CID167800190
Molecular FormulaC15H14N6OS
Molecular Weight326.38 g/mol
Exact Mass326.09
IUPAC NameN-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide
SMILESO=C(NCc1nc(-c2ccccn2)n[nH]1)c1nc2c(s1)CCC2
InChIInChI=1S/C15H14N6OS/c22-14(15-18-9-5-3-6-11(9)23-15)17-8-12-19-13(21-20-12)10-4-1-2-7-16-10/h1-2,4,7H,3,5-6,8H2,(H,17,22)(H,19,20,21)
InChIKeyAQNURLKYPBUABW-UHFFFAOYSA-N
XLogP1.74
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 167798076
N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide
CID 167862408
N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 167937044
N-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 39850688
6-fluoro-N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 167983534
N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridin-2-ylacetamide
CID 77083716
N-[(3-chlorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168756
N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide
CID 25106890
2-pyridin-2-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 133415436
N-[(2,4-difluorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168769
N-(2-fluorophenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168730
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide?
The IUPAC name of N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide (CID 167800190) is N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide is O=C(NCc1nc(-c2ccccn2)n[nH]1)c1nc2c(s1)CCC2.
What is the InChIKey of N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide?
The InChIKey is AQNURLKYPBUABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS/c22-14(15-18-9-5-3-6-11(9)23-15)17-8-12-19-13(21-20-12)10-4-1-2-7-16-10/h1-2,4,7H,3,5-6,8H2,(H,17,22)(H,19,20,21).
What are the key properties of N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide?
N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 167800190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).