2-quinolin-4-yl-1,3-thiazole-5-carboxylic acid

C13H8N2O2S — CID 63867793

IUPAC2-quinolin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccnc3ccccc23)s1
InChIInChI=1S/C13H8N2O2S/c16-13(17)11-7-15-12(18-11)9-5-6-14-10-4-2-1-3-8(9)10/h1-7H,(H,16,17)
InChIKeyGPXXOMLLMDMIAB-UHFFFAOYSA-N
MW256.29 g/mol
LogP3.06
Rot. Bonds2

About 2-quinolin-4-yl-1,3-thiazole-5-carboxylic acid

2-quinolin-4-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 63867793) has the molecular formula C13H8N2O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is 2-quinolin-4-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-quinolin-4-yl-1,3-thiazole-5-carboxylic acid
PubChem CID63867793
Molecular FormulaC13H8N2O2S
Molecular Weight256.29 g/mol
Exact Mass256.03
IUPAC Name2-quinolin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccnc3ccccc23)s1
InChIInChI=1S/C13H8N2O2S/c16-13(17)11-7-15-12(18-11)9-5-6-14-10-4-2-1-3-8(9)10/h1-7H,(H,16,17)
InChIKeyGPXXOMLLMDMIAB-UHFFFAOYSA-N
XLogP3.06
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Cyano-1-propan-2-ylindol-5-yl)-1,3-thiazole-5-carboxylic acid
CID 68751288
N,N-dimethyl-2-[3-(2-methyl-1,3-thiazol-5-yl)quinolin-2-yl]sulfanylethanamine;oxalic acid
CID 14001293
2-(Pyridin-4-yl)-1,3-thiazole-5-carboxylic acid
CID 21928532
2-(Pyridin-3-yl)-1,3-thiazole-5-carboxylic acid
CID 23283853
2-(Pyridin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 23283855
2-[4-Methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid
CID 57018296
2-(4-Amino-8-fluoro-5-methylnaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid
CID 68299218
2-(4-Amino-5-fluoronaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid
CID 68299876
2-(4-Amino-8-fluoro-7-methylnaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid
CID 68299902
2-[4-Cyano-5-(2-fluoro-5-methylphenyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid
CID 117723722
2-[5-(6-Fluoroquinolin-4-yl)thiophen-2-yl]sulfanyl-2-methylpropanoic acid
CID 141750608
2-[5-Cyano-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid
CID 144751359

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-4-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-quinolin-4-yl-1,3-thiazole-5-carboxylic acid (CID 63867793) is 2-quinolin-4-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-quinolin-4-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-quinolin-4-yl-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(-c2ccnc3ccccc23)s1.
What is the InChIKey of 2-quinolin-4-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is GPXXOMLLMDMIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2S/c16-13(17)11-7-15-12(18-11)9-5-6-14-10-4-2-1-3-8(9)10/h1-7H,(H,16,17).
What are the key properties of 2-quinolin-4-yl-1,3-thiazole-5-carboxylic acid?
2-quinolin-4-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 256.29 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-4-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63867793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).