1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxy-6-oxopyridine-2-carboxylic acid

C12H10N2O4S — CID 114207453

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
SMILESO=C(O)c1cc(O)cc(=O)n1-c1nc2c(s1)CCC2
InChIInChI=1S/C12H10N2O4S/c15-6-4-8(11(17)18)14(10(16)5-6)12-13-7-2-1-3-9(7)19-12/h4-5,15H,1-3H2,(H,17,18)
InChIKeyPSQLSUDSWDJXGD-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.19
Rot. Bonds2

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

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxy-6-oxopyridine-2-carboxylic acid (PubChem CID 114207453) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxy-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
PubChem CID114207453
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
SMILESO=C(O)c1cc(O)cc(=O)n1-c1nc2c(s1)CCC2
InChIInChI=1S/C12H10N2O4S/c15-6-4-8(11(17)18)14(10(16)5-6)12-13-7-2-1-3-9(7)19-12/h4-5,15H,1-3H2,(H,17,18)
InChIKeyPSQLSUDSWDJXGD-UHFFFAOYSA-N
XLogP1.19
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxy-6-oxopyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione
CID 113404599
2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]acetic acid
CID 82167561
2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]propanoic acid
CID 82167562
3-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazin-1-yl]propanoic acid
CID 82167572
2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 165433014
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinan-2-one
CID 115371059
5-(methoxymethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazole-4-carboxylic acid
CID 82221678
2-(3,6-dichloro-1H-pyridazin-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 175863191
5-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)furan-2-carboxylic acid
CID 62205330
methyl 5-amino-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazole-4-carboxylate
CID 103545102
5-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazole-4-carboxylic acid
CID 82221675
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinane-2,4,6-trione
CID 112597902

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxy-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxy-6-oxopyridine-2-carboxylic acid (CID 114207453) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxy-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxy-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxy-6-oxopyridine-2-carboxylic acid is O=C(O)c1cc(O)cc(=O)n1-c1nc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxy-6-oxopyridine-2-carboxylic acid?
The InChIKey is PSQLSUDSWDJXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c15-6-4-8(11(17)18)14(10(16)5-6)12-13-7-2-1-3-9(7)19-12/h4-5,15H,1-3H2,(H,17,18).
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxy-6-oxopyridine-2-carboxylic acid?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxy-6-oxopyridine-2-carboxylic acid has a molecular weight of 278.29 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxy-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114207453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).