ethyl 2-benzamido-1,3-thiazole-4-carboxylate

C13H12N2O3S — CID 4067950

IUPACethyl 2-benzamido-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C13H12N2O3S/c1-2-18-12(17)10-8-19-13(14-10)15-11(16)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15,16)
InChIKeyAPARLFOMPOBXSE-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.57
Rot. Bonds4

About ethyl 2-benzamido-1,3-thiazole-4-carboxylate

ethyl 2-benzamido-1,3-thiazole-4-carboxylate (PubChem CID 4067950) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is ethyl 2-benzamido-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzamido-1,3-thiazole-4-carboxylate
PubChem CID4067950
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Nameethyl 2-benzamido-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C13H12N2O3S/c1-2-18-12(17)10-8-19-13(14-10)15-11(16)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15,16)
InChIKeyAPARLFOMPOBXSE-UHFFFAOYSA-N
XLogP2.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-benzamido-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylthiazol-2-yl)benzamide
CID 695178
T0400-1499
CID 1549394
[2-(4-Fluoro-benzoylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 732361
Ethyl 2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxylate
CID 726753
Ethyl 2-(benzylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 3641692
4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)-, ethyl ester
CID 3001113
Ethyl 2-{[(benzoylamino)carbothioyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 782862
Ethyl (2-{[(4-methylphenyl)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 702014
Ethyl 4-(benzylamino)-3,5-thiazolecarboxylate
CID 15053550
2-[2-[[Benzamido(sulfanylidene)methyl]amino]-4-thiazolyl]acetic acid ethyl ester
CID 805875
Ethyl {2-[(3,5-dimethylbenzoyl)amino]-1,3-thiazol-4-yl}acetate
CID 912543
{2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester
CID 1072709

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzamido-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-benzamido-1,3-thiazole-4-carboxylate (CID 4067950) is ethyl 2-benzamido-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-benzamido-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-benzamido-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2ccccc2)n1.
What is the InChIKey of ethyl 2-benzamido-1,3-thiazole-4-carboxylate?
The InChIKey is APARLFOMPOBXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-2-18-12(17)10-8-19-13(14-10)15-11(16)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15,16).
What are the key properties of ethyl 2-benzamido-1,3-thiazole-4-carboxylate?
ethyl 2-benzamido-1,3-thiazole-4-carboxylate has a molecular weight of 276.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzamido-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 4067950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).