5-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-4-carboxylic acid

C15H16N2O2S — CID 115422452

IUPAC5-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(-c2ccc3c(c2)CCCN3C)nc1C(=O)O
InChIInChI=1S/C15H16N2O2S/c1-9-13(15(18)19)16-14(20-9)11-5-6-12-10(8-11)4-3-7-17(12)2/h5-6,8H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyFGLYUQJHRXCTLQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.20
Rot. Bonds2

About 5-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-4-carboxylic acid

5-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 115422452) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID115422452
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name5-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(-c2ccc3c(c2)CCCN3C)nc1C(=O)O
InChIInChI=1S/C15H16N2O2S/c1-9-13(15(18)19)16-14(20-9)11-5-6-12-10(8-11)4-3-7-17(12)2/h5-6,8H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyFGLYUQJHRXCTLQ-UHFFFAOYSA-N
XLogP3.20
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-4-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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-4-carboxylic acid (CID 115422452) is 5-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-4-carboxylic acid is Cc1sc(-c2ccc3c(c2)CCCN3C)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is FGLYUQJHRXCTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-9-13(15(18)19)16-14(20-9)11-5-6-12-10(8-11)4-3-7-17(12)2/h5-6,8H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of 5-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-4-carboxylic acid?
5-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 288.37 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115422452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).