4-methyl-2-[1-[(2-methylbenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid

C15H16N2O3S — CID 75518239

IUPAC4-methyl-2-[1-[(2-methylbenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1ccccc1C(=O)NC(C)c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C15H16N2O3S/c1-8-6-4-5-7-11(8)13(18)16-10(3)14-17-9(2)12(21-14)15(19)20/h4-7,10H,1-3H3,(H,16,18)(H,19,20)
InChIKeyFQDMTUMBUZNQCX-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.95
Rot. Bonds4

About 4-methyl-2-[1-[(2-methylbenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[1-[(2-methylbenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 75518239) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-methyl-2-[1-[(2-methylbenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[1-[(2-methylbenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID75518239
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name4-methyl-2-[1-[(2-methylbenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1ccccc1C(=O)NC(C)c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C15H16N2O3S/c1-8-6-4-5-7-11(8)13(18)16-10(3)14-17-9(2)12(21-14)15(19)20/h4-7,10H,1-3H3,(H,16,18)(H,19,20)
InChIKeyFQDMTUMBUZNQCX-UHFFFAOYSA-N
XLogP2.95
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[1-[(3-methylpyridine-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 120537651
2-[1-[(1,2-dimethylpyrrole-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 138057892
2-[1-[[4-(dimethylcarbamoyl)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 120537583
2-[1-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 120537627
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
2-[1-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 120689808
2-[1-(1H-indole-5-carbonylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 86784879
4-methyl-2-[1-[(3-methyl-5-nitrobenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 120689835
4-methyl-2-[1-(4-naphthalen-2-ylbutanoylamino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 120537665
2-[(S)-dimethylamino-(2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39395610
2-[1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 120537730
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-methylbenzamide
CID 146094803

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[(2-methylbenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[1-[(2-methylbenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid (CID 75518239) is 4-methyl-2-[1-[(2-methylbenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[1-[(2-methylbenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[1-[(2-methylbenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid is Cc1ccccc1C(=O)NC(C)c1nc(C)c(C(=O)O)s1.
What is the InChIKey of 4-methyl-2-[1-[(2-methylbenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is FQDMTUMBUZNQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-8-6-4-5-7-11(8)13(18)16-10(3)14-17-9(2)12(21-14)15(19)20/h4-7,10H,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 4-methyl-2-[1-[(2-methylbenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[1-[(2-methylbenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[(2-methylbenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 75518239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).