2-(5-chloroquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylic acid

C14H9ClN2O2S — CID 115959776

IUPAC2-(5-chloroquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(-c2ccc(Cl)c3cccnc23)nc1C(=O)O
InChIInChI=1S/C14H9ClN2O2S/c1-7-11(14(18)19)17-13(20-7)9-4-5-10(15)8-3-2-6-16-12(8)9/h2-6H,1H3,(H,18,19)
InChIKeyVURJMLBBJBNCRC-UHFFFAOYSA-N
MW304.76 g/mol
LogP4.02
Rot. Bonds2

About 2-(5-chloroquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylic acid

2-(5-chloroquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 115959776) has the molecular formula C14H9ClN2O2S and a molecular weight of 304.76 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID115959776
Molecular FormulaC14H9ClN2O2S
Molecular Weight304.76 g/mol
Exact Mass304.01
IUPAC Name2-(5-chloroquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(-c2ccc(Cl)c3cccnc23)nc1C(=O)O
InChIInChI=1S/C14H9ClN2O2S/c1-7-11(14(18)19)17-13(20-7)9-4-5-10(15)8-3-2-6-16-12(8)9/h2-6H,1H3,(H,18,19)
InChIKeyVURJMLBBJBNCRC-UHFFFAOYSA-N
XLogP4.02
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(5-chloroquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylic acid (CID 115959776) is 2-(5-chloroquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylic acid is Cc1sc(-c2ccc(Cl)c3cccnc23)nc1C(=O)O.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is VURJMLBBJBNCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2S/c1-7-11(14(18)19)17-13(20-7)9-4-5-10(15)8-3-2-6-16-12(8)9/h2-6H,1H3,(H,18,19).
What are the key properties of 2-(5-chloroquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylic acid?
2-(5-chloroquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 304.76 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115959776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).