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

C15H16N2O2S — CID 39160879

IUPAC2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CN2CCCc3ccccc32)sc1C(=O)O
InChIInChI=1S/C15H16N2O2S/c1-10-14(15(18)19)20-13(16-10)9-17-8-4-6-11-5-2-3-7-12(11)17/h2-3,5,7H,4,6,8-9H2,1H3,(H,18,19)
InChIKeyFLPKPTDAJGCNDT-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.10
Rot. Bonds3

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

2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 39160879) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID39160879
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CN2CCCc3ccccc32)sc1C(=O)O
InChIInChI=1S/C15H16N2O2S/c1-10-14(15(18)19)20-13(16-10)9-17-8-4-6-11-5-2-3-7-12(11)17/h2-3,5,7H,4,6,8-9H2,1H3,(H,18,19)
InChIKeyFLPKPTDAJGCNDT-UHFFFAOYSA-N
XLogP3.10
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(2,3-dihydroindol-1-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82124117
3,4-dihydro-2H-quinolin-1-yl-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
CID 110387133
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39160777
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,1-dioxo-1,2-thiazole-3-carboxylic acid
CID 117216917
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43227229
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid
CID 117212734
6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-1,3-benzothiazole
CID 39104953
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid
CID 55054315
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82161957
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-methylphenol
CID 112616048
(E)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbut-2-enoic acid
CID 55236328

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 39160879) is 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(CN2CCCc3ccccc32)sc1C(=O)O.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is FLPKPTDAJGCNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-14(15(18)19)20-13(16-10)9-17-8-4-6-11-5-2-3-7-12(11)17/h2-3,5,7H,4,6,8-9H2,1H3,(H,18,19).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 288.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 39160879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).