2-[(4-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carboxylic acid

C14H11N3O2S — CID 43332285

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carboxylic acid
SMILESCc1csc(Nc2cc(C(=O)O)c3ccccc3n2)n1
InChIInChI=1S/C14H11N3O2S/c1-8-7-20-14(15-8)17-12-6-10(13(18)19)9-4-2-3-5-11(9)16-12/h2-7H,1H3,(H,18,19)(H,15,16,17)
InChIKeyHELIHUIYEMCOOP-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.44
Rot. Bonds3

About 2-[(4-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carboxylic acid

2-[(4-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carboxylic acid (PubChem CID 43332285) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carboxylic acid
PubChem CID43332285
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carboxylic acid
SMILESCc1csc(Nc2cc(C(=O)O)c3ccccc3n2)n1
InChIInChI=1S/C14H11N3O2S/c1-8-7-20-14(15-8)17-12-6-10(13(18)19)9-4-2-3-5-11(9)16-12/h2-7H,1H3,(H,18,19)(H,15,16,17)
InChIKeyHELIHUIYEMCOOP-UHFFFAOYSA-N
XLogP3.44
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2085562
2-(propan-2-ylamino)quinoline-4-carboxylic acid
CID 43154773
2-(4-iodoanilino)quinoline-4-carboxylic acid
CID 43154791
2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601339
2-(4-ethylanilino)quinoline-4-carboxylic acid
CID 4166547
2-(but-2-ynylamino)quinoline-4-carboxylic acid
CID 113464681
2-(2,4-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 3707825
2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid
CID 5076484
2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid
CID 104828568
2-[(4-methyl-1,3-thiazol-2-yl)methylamino]quinoline-4-carbothioamide
CID 63886101
5-amino-3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 107193541
2-[(5-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carbothioamide
CID 63885150

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carboxylic acid?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carboxylic acid (CID 43332285) is 2-[(4-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carboxylic acid is Cc1csc(Nc2cc(C(=O)O)c3ccccc3n2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carboxylic acid?
The InChIKey is HELIHUIYEMCOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-8-7-20-14(15-8)17-12-6-10(13(18)19)9-4-2-3-5-11(9)16-12/h2-7H,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carboxylic acid?
2-[(4-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carboxylic acid has a molecular weight of 285.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carboxylic acid is sourced from PubChem (CID 43332285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).