ethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate

C14H14N2O3S — CID 110696258

IUPACethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1nc(C)cs1
InChIInChI=1S/C14H14N2O3S/c1-3-19-14(18)10-6-4-5-7-11(10)16-12(17)13-15-9(2)8-20-13/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeySUXNFVARJBXDLU-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.88
Rot. Bonds4

About ethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate

ethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate (PubChem CID 110696258) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is ethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate
PubChem CID110696258
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Nameethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1nc(C)cs1
InChIInChI=1S/C14H14N2O3S/c1-3-19-14(18)10-6-4-5-7-11(10)16-12(17)13-15-9(2)8-20-13/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeySUXNFVARJBXDLU-UHFFFAOYSA-N
XLogP2.88
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696183
ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate
CID 109044011
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
ethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate
CID 110704737
ethyl 2-(1,2-thiazole-5-carbonylamino)benzoate
CID 110692261
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
ethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
CID 9123178
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[[3-(diethylamino)quinoxaline-2-carbonyl]amino]benzoate
CID 46365119
ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110651262
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate (CID 110696258) is ethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1nc(C)cs1.
What is the InChIKey of ethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate?
The InChIKey is SUXNFVARJBXDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-3-19-14(18)10-6-4-5-7-11(10)16-12(17)13-15-9(2)8-20-13/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate?
ethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate has a molecular weight of 290.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate is sourced from PubChem (CID 110696258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).