2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)pyridine-3-carboxylic acid

C13H11N3O3S — CID 63615433

IUPAC2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C13H11N3O3S/c17-11(10-7(12(18)19)3-2-6-14-10)16-13-15-8-4-1-5-9(8)20-13/h2-3,6H,1,4-5H2,(H,18,19)(H,15,16,17)
InChIKeyWSJCBVZJWBWKIV-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.98
Rot. Bonds3

About 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)pyridine-3-carboxylic acid

2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 63615433) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID63615433
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C13H11N3O3S/c17-11(10-7(12(18)19)3-2-6-14-10)16-13-15-8-4-1-5-9(8)20-13/h2-3,6H,1,4-5H2,(H,18,19)(H,15,16,17)
InChIKeyWSJCBVZJWBWKIV-UHFFFAOYSA-N
XLogP1.98
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718
3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazine-2-carboxamide
CID 17456714
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)benzamide
CID 62176858
2-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-carboxamide
CID 106686629
2,3-difluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 105381051
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide
CID 104640909
2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5107128
3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 115930466
4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 3595429
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4-difluorobenzamide
CID 26723073
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-nitrobenzamide
CID 60571613

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)pyridine-3-carboxylic acid (CID 63615433) is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1C(=O)Nc1nc2c(s1)CCC2.
What is the InChIKey of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is WSJCBVZJWBWKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c17-11(10-7(12(18)19)3-2-6-14-10)16-13-15-8-4-1-5-9(8)20-13/h2-3,6H,1,4-5H2,(H,18,19)(H,15,16,17).
What are the key properties of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)pyridine-3-carboxylic acid?
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 289.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63615433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).