4-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid

C13H14N2O2S — CID 82133283

IUPAC4-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid
SMILESCNc1nc(-c2cc(C)ccc2C)c(C(=O)O)s1
InChIInChI=1S/C13H14N2O2S/c1-7-4-5-8(2)9(6-7)10-11(12(16)17)18-13(14-3)15-10/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeySKXXVZJSHOCSIV-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.17
Rot. Bonds3

About 4-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid

4-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 82133283) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID82133283
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name4-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid
SMILESCNc1nc(-c2cc(C)ccc2C)c(C(=O)O)s1
InChIInChI=1S/C13H14N2O2S/c1-7-4-5-8(2)9(6-7)10-11(12(16)17)18-13(14-3)15-10/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeySKXXVZJSHOCSIV-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine
CID 8963113
4-(4-fluoro-3-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid
CID 82133814
4-(2,5-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82129018
2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 1132750
5-acetyl-2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696203
4-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid
CID 82134601
4-amino-N-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668356
2-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177638
N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 774248
3-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 39183433
2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 2236513
2-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 87310875

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid (CID 82133283) is 4-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid is CNc1nc(-c2cc(C)ccc2C)c(C(=O)O)s1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is SKXXVZJSHOCSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-7-4-5-8(2)9(6-7)10-11(12(16)17)18-13(14-3)15-10/h4-6H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 4-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid?
4-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82133283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).