2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid

C13H14N2O2S — CID 1132750

IUPAC2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(C)c(Nc2nc(C)c(C(=O)O)s2)c1
InChIInChI=1S/C13H14N2O2S/c1-7-4-5-8(2)10(6-7)15-13-14-9(3)11(18-13)12(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyGBCNEUWWNDNOPJ-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.51
Rot. Bonds3

About 2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 1132750) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID1132750
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(C)c(Nc2nc(C)c(C(=O)O)s2)c1
InChIInChI=1S/C13H14N2O2S/c1-7-4-5-8(2)10(6-7)15-13-14-9(3)11(18-13)12(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyGBCNEUWWNDNOPJ-UHFFFAOYSA-N
XLogP3.51
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid
CID 80568831
2-(2,5-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82065210
4-methyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 9154510
2-(2-bromo-4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570556
2-(2,6-dichloro-3-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569552
4-methyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570340
2-(2,4-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82065229
N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365497
2-[2-(difluoromethylsulfanyl)anilino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569590
5-acetyl-2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106696876
[4-amino-2-(2,5-dimethylanilino)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone
CID 46285852
N-(2,5-dimethylphenyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide
CID 108529959

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 1132750) is 2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1ccc(C)c(Nc2nc(C)c(C(=O)O)s2)c1.
What is the InChIKey of 2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is GBCNEUWWNDNOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-7-4-5-8(2)10(6-7)15-13-14-9(3)11(18-13)12(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 1132750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).