potassium 5-(2-methylanilino)-1,3-thiazole-4-carboxylate

C11H9KN2O2S — CID 122156916

IUPACpotassium 5-(2-methylanilino)-1,3-thiazole-4-carboxylate
SMILESCc1ccccc1Nc1scnc1C(=O)[O-].[K+]
InChIInChI=1S/C11H10N2O2S.K/c1-7-4-2-3-5-8(7)13-10-9(11(14)15)12-6-16-10;/h2-6,13H,1H3,(H,14,15);/q;+1/p-1
InChIKeyIULICHWEFULGFR-UHFFFAOYSA-M
MW272.37 g/mol
LogP-1.44
Rot. Bonds3

About potassium 5-(2-methylanilino)-1,3-thiazole-4-carboxylate

potassium 5-(2-methylanilino)-1,3-thiazole-4-carboxylate (PubChem CID 122156916) has the molecular formula C11H9KN2O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is potassium 5-(2-methylanilino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namepotassium 5-(2-methylanilino)-1,3-thiazole-4-carboxylate
PubChem CID122156916
Molecular FormulaC11H9KN2O2S
Molecular Weight272.37 g/mol
Exact Mass272.00
IUPAC Namepotassium 5-(2-methylanilino)-1,3-thiazole-4-carboxylate
SMILESCc1ccccc1Nc1scnc1C(=O)[O-].[K+]
InChIInChI=1S/C11H10N2O2S.K/c1-7-4-2-3-5-8(7)13-10-9(11(14)15)12-6-16-10;/h2-6,13H,1H3,(H,14,15);/q;+1/p-1
InChIKeyIULICHWEFULGFR-UHFFFAOYSA-M
XLogP-1.44
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-3-hydroxy-2-[[5-(2-methylanilino)-1,3-thiazole-4-carbonyl]amino]propanoate
CID 126831196
5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 64629676
methyl 5-(2-methylphenyl)-1,3-thiazole-4-carboxylate
CID 53271159
5-(2-ethoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64630275
5-[2-(difluoromethylsulfanyl)anilino]-1,3-thiazole-4-carboxylic acid
CID 64631698
5-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 64628867
4-(2-methylanilino)quinoline-3-carboxylate
CID 19759621
5-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110850663
5-bromo-1,3-thiazole-4-carboxylate
CID 40787019
methyl 2-(2-methylanilino)-1,3-thiazole-4-carboxylate
CID 115423299
5-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 106510392
[2-(2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 87869649

Frequently Asked Questions

What is the IUPAC name of potassium 5-(2-methylanilino)-1,3-thiazole-4-carboxylate?
The IUPAC name of potassium 5-(2-methylanilino)-1,3-thiazole-4-carboxylate (CID 122156916) is potassium 5-(2-methylanilino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for potassium 5-(2-methylanilino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for potassium 5-(2-methylanilino)-1,3-thiazole-4-carboxylate is Cc1ccccc1Nc1scnc1C(=O)[O-].[K+].
What is the InChIKey of potassium 5-(2-methylanilino)-1,3-thiazole-4-carboxylate?
The InChIKey is IULICHWEFULGFR-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10N2O2S.K/c1-7-4-2-3-5-8(7)13-10-9(11(14)15)12-6-16-10;/h2-6,13H,1H3,(H,14,15);/q;+1/p-1.
What are the key properties of potassium 5-(2-methylanilino)-1,3-thiazole-4-carboxylate?
potassium 5-(2-methylanilino)-1,3-thiazole-4-carboxylate has a molecular weight of 272.37 g/mol, XLogP of -1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-(2-methylanilino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 122156916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).