2-[(2,4-dimethylphenyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid

C14H14N2O3S — CID 116697007

IUPAC2-[(2,4-dimethylphenyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(N(C)C(=O)c2nc(C(=O)O)cs2)c(C)c1
InChIInChI=1S/C14H14N2O3S/c1-8-4-5-11(9(2)6-8)16(3)13(17)12-15-10(7-20-12)14(18)19/h4-7H,1-3H3,(H,18,19)
InChIKeyQRUHLLBWDCRHBL-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.73
Rot. Bonds3

About 2-[(2,4-dimethylphenyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid

2-[(2,4-dimethylphenyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 116697007) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID116697007
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-[(2,4-dimethylphenyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(N(C)C(=O)c2nc(C(=O)O)cs2)c(C)c1
InChIInChI=1S/C14H14N2O3S/c1-8-4-5-11(9(2)6-8)16(3)13(17)12-15-10(7-20-12)14(18)19/h4-7H,1-3H3,(H,18,19)
InChIKeyQRUHLLBWDCRHBL-UHFFFAOYSA-N
XLogP2.73
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696476
6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide
CID 103874287
N-(2,4-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618719
2-[benzyl(methyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696567
2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614620
2-[methyl(pentan-3-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696720
5-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide
CID 63723381
6-(N,2,4-trimethylanilino)pyrazine-2-carboxylic acid
CID 66449315
2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696799
2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696469
N-(2,4-dimethylphenyl)-N-methyl-5-(methylamino)pyrazine-2-carboxamide
CID 107375039
N-(2,4-dimethylphenyl)-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63858926

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(2,4-dimethylphenyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid (CID 116697007) is 2-[(2,4-dimethylphenyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(2,4-dimethylphenyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid is Cc1ccc(N(C)C(=O)c2nc(C(=O)O)cs2)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is QRUHLLBWDCRHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-8-4-5-11(9(2)6-8)16(3)13(17)12-15-10(7-20-12)14(18)19/h4-7H,1-3H3,(H,18,19).
What are the key properties of 2-[(2,4-dimethylphenyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[(2,4-dimethylphenyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116697007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).