2-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methylquinoline-4-carboxylic acid

C16H14N2O2S — CID 63751054

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methylquinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3nc(C)sc3C)cc(C(=O)O)c2c1
InChIInChI=1S/C16H14N2O2S/c1-8-4-5-13-11(6-8)12(16(19)20)7-14(18-13)15-9(2)21-10(3)17-15/h4-7H,1-3H3,(H,19,20)
InChIKeyDGSGYHDIAJTPFM-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.98
Rot. Bonds2

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methylquinoline-4-carboxylic acid

2-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methylquinoline-4-carboxylic acid (PubChem CID 63751054) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methylquinoline-4-carboxylic acid
PubChem CID63751054
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methylquinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3nc(C)sc3C)cc(C(=O)O)c2c1
InChIInChI=1S/C16H14N2O2S/c1-8-4-5-13-11(6-8)12(16(19)20)7-14(18-13)15-9(2)21-10(3)17-15/h4-7H,1-3H3,(H,19,20)
InChIKeyDGSGYHDIAJTPFM-UHFFFAOYSA-N
XLogP3.98
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methylquinoline-4-carboxylic acid (CID 63751054) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methylquinoline-4-carboxylic acid is Cc1ccc2nc(-c3nc(C)sc3C)cc(C(=O)O)c2c1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methylquinoline-4-carboxylic acid?
The InChIKey is DGSGYHDIAJTPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-8-4-5-13-11(6-8)12(16(19)20)7-14(18-13)15-9(2)21-10(3)17-15/h4-7H,1-3H3,(H,19,20).
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methylquinoline-4-carboxylic acid?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methylquinoline-4-carboxylic acid has a molecular weight of 298.37 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 63751054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).