(4S)-2-(6-methylquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C14H12N2O2S — CID 90193131

IUPAC(4S)-2-(6-methylquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc2nc(C3=N[C@@H](C(=O)O)CS3)ccc2c1
InChIInChI=1S/C14H12N2O2S/c1-8-2-4-10-9(6-8)3-5-11(15-10)13-16-12(7-19-13)14(17)18/h2-6,12H,7H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyNQAFVWHLSQPWBI-GFCCVEGCSA-N
MW272.33 g/mol
LogP2.49
Rot. Bonds2

About (4S)-2-(6-methylquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

(4S)-2-(6-methylquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 90193131) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is (4S)-2-(6-methylquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(6-methylquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID90193131
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name(4S)-2-(6-methylquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc2nc(C3=N[C@@H](C(=O)O)CS3)ccc2c1
InChIInChI=1S/C14H12N2O2S/c1-8-2-4-10-9(6-8)3-5-11(15-10)13-16-12(7-19-13)14(17)18/h2-6,12H,7H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyNQAFVWHLSQPWBI-GFCCVEGCSA-N
XLogP2.49
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(6-methylquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of (4S)-2-(6-methylquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 90193131) is (4S)-2-(6-methylquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(6-methylquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for (4S)-2-(6-methylquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is Cc1ccc2nc(C3=N[C@@H](C(=O)O)CS3)ccc2c1.
What is the InChIKey of (4S)-2-(6-methylquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is NQAFVWHLSQPWBI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-8-2-4-10-9(6-8)3-5-11(15-10)13-16-12(7-19-13)14(17)18/h2-6,12H,7H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (4S)-2-(6-methylquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
(4S)-2-(6-methylquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(6-methylquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 90193131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).