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

C15H16N2O2S — CID 115424508

IUPAC5-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(N2CC(C)Cc3ccccc32)nc1C(=O)O
InChIInChI=1S/C15H16N2O2S/c1-9-7-11-5-3-4-6-12(11)17(8-9)15-16-13(14(18)19)10(2)20-15/h3-6,9H,7-8H2,1-2H3,(H,18,19)
InChIKeyNAQFKRFVVXTFNY-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.48
Rot. Bonds2

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

5-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 115424508) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID115424508
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name5-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(N2CC(C)Cc3ccccc32)nc1C(=O)O
InChIInChI=1S/C15H16N2O2S/c1-9-7-11-5-3-4-6-12(11)17(8-9)15-16-13(14(18)19)10(2)20-15/h3-6,9H,7-8H2,1-2H3,(H,18,19)
InChIKeyNAQFKRFVVXTFNY-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-bromo-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,4-thiadiazole
CID 64622242
1,3-dimethyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazole-4-carboxylic acid
CID 63535828
5-amino-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 63423175
N-methyl-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63512715
1-(6-chloro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63587479
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424418
5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 63535830
4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 63535829
N-[[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63512881
4-methyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazol-2-amine
CID 63947239
(2-amino-1,3-thiazol-4-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63522293
3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 115550530

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid (CID 115424508) is 5-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid is Cc1sc(N2CC(C)Cc3ccccc32)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is NAQFKRFVVXTFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-9-7-11-5-3-4-6-12(11)17(8-9)15-16-13(14(18)19)10(2)20-15/h3-6,9H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 5-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid?
5-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 288.37 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115424508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).