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

C15H16N2O3S — CID 170507016

IUPAC1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(CCc2nc3c(s2)CCC3)c(=O)c1C(=O)O
InChIInChI=1S/C15H16N2O3S/c1-9-5-7-17(14(18)13(9)15(19)20)8-6-12-16-10-3-2-4-11(10)21-12/h5,7H,2-4,6,8H2,1H3,(H,19,20)
InChIKeyGEBSNBWUECCUQZ-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.04
Rot. Bonds4

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

1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 170507016) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID170507016
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(CCc2nc3c(s2)CCC3)c(=O)c1C(=O)O
InChIInChI=1S/C15H16N2O3S/c1-9-5-7-17(14(18)13(9)15(19)20)8-6-12-16-10-3-2-4-11(10)21-12/h5,7H,2-4,6,8H2,1H3,(H,19,20)
InChIKeyGEBSNBWUECCUQZ-UHFFFAOYSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-methyl-2-oxopyridine-3-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

1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170511227
2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)ethylamino]pyrazin-1-yl]acetic acid
CID 167889001
ethyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate
CID 110460548
2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 130511936
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide
CID 110467175
1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702985
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(2-phenylimidazol-1-yl)acetamide
CID 72908286
4-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
CID 82111979
2-[2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 50954542
4-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-oxopyridine-3-carboxylic acid
CID 170512125
4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid
CID 170511886
3-(1-methylpyrrol-2-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide
CID 122572772

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid (CID 170507016) is 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid is Cc1ccn(CCc2nc3c(s2)CCC3)c(=O)c1C(=O)O.
What is the InChIKey of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is GEBSNBWUECCUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9-5-7-17(14(18)13(9)15(19)20)8-6-12-16-10-3-2-4-11(10)21-12/h5,7H,2-4,6,8H2,1H3,(H,19,20).
What are the key properties of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 170507016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).