6-methyl-2-(1,3-thiazol-5-yl)quinoline-4-carboxylic acid

C14H10N2O2S — CID 113486957

IUPAC6-methyl-2-(1,3-thiazol-5-yl)quinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3cncs3)cc(C(=O)O)c2c1
InChIInChI=1S/C14H10N2O2S/c1-8-2-3-11-9(4-8)10(14(17)18)5-12(16-11)13-6-15-7-19-13/h2-7H,1H3,(H,17,18)
InChIKeyCKFHYSWAMOYZAN-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.36
Rot. Bonds2

About 6-methyl-2-(1,3-thiazol-5-yl)quinoline-4-carboxylic acid

6-methyl-2-(1,3-thiazol-5-yl)quinoline-4-carboxylic acid (PubChem CID 113486957) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 6-methyl-2-(1,3-thiazol-5-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(1,3-thiazol-5-yl)quinoline-4-carboxylic acid
PubChem CID113486957
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name6-methyl-2-(1,3-thiazol-5-yl)quinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3cncs3)cc(C(=O)O)c2c1
InChIInChI=1S/C14H10N2O2S/c1-8-2-3-11-9(4-8)10(14(17)18)5-12(16-11)13-6-15-7-19-13/h2-7H,1H3,(H,17,18)
InChIKeyCKFHYSWAMOYZAN-UHFFFAOYSA-N
XLogP3.36
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 15376151
2-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methylquinoline-4-carboxylic acid
CID 63751054
6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid
CID 168514407
6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 1229845
6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 86004329
2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
CID 168527201
2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 4001748
potassium 2-(5-bromothiophen-2-yl)-6-methylquinoline-4-carboxylate
CID 23688649
2-[4-(5-formylfuran-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
CID 169334559
6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644
2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]-6-methylquinoline-4-carboxylic acid
CID 170149298

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1,3-thiazol-5-yl)quinoline-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(1,3-thiazol-5-yl)quinoline-4-carboxylic acid (CID 113486957) is 6-methyl-2-(1,3-thiazol-5-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(1,3-thiazol-5-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(1,3-thiazol-5-yl)quinoline-4-carboxylic acid is Cc1ccc2nc(-c3cncs3)cc(C(=O)O)c2c1.
What is the InChIKey of 6-methyl-2-(1,3-thiazol-5-yl)quinoline-4-carboxylic acid?
The InChIKey is CKFHYSWAMOYZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c1-8-2-3-11-9(4-8)10(14(17)18)5-12(16-11)13-6-15-7-19-13/h2-7H,1H3,(H,17,18).
What are the key properties of 6-methyl-2-(1,3-thiazol-5-yl)quinoline-4-carboxylic acid?
6-methyl-2-(1,3-thiazol-5-yl)quinoline-4-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1,3-thiazol-5-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 113486957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).