ethyl 2-[(4-acetyloxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

C16H16N2O5S — CID 2992172

IUPACethyl 2-[(4-acetyloxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(OC(C)=O)cc2)nc1C
InChIInChI=1S/C16H16N2O5S/c1-4-22-15(21)13-9(2)17-16(24-13)18-14(20)11-5-7-12(8-6-11)23-10(3)19/h5-8H,4H2,1-3H3,(H,17,18,20)
InChIKeyJKMRBUYXTDCEQD-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.81
Rot. Bonds5

About ethyl 2-[(4-acetyloxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[(4-acetyloxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 2992172) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is ethyl 2-[(4-acetyloxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-acetyloxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID2992172
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Nameethyl 2-[(4-acetyloxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(OC(C)=O)cc2)nc1C
InChIInChI=1S/C16H16N2O5S/c1-4-22-15(21)13-9(2)17-16(24-13)18-14(20)11-5-7-12(8-6-11)23-10(3)19/h5-8H,4H2,1-3H3,(H,17,18,20)
InChIKeyJKMRBUYXTDCEQD-UHFFFAOYSA-N
XLogP2.81
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 803577
2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 897375
A1AR antagonist 3
CID 129834603
Methyl 2-(4-ethoxybenzamido)-4-methylthiazole-5-carboxylate
CID 1877175
Prop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2138172
Ethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 2381436
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone
CID 2814831
Ethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3149826
2-{[3-(4-methoxyphenyl)propanoyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 4466078
N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4879505
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide
CID 5110663

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-acetyloxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(4-acetyloxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 2992172) is ethyl 2-[(4-acetyloxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(4-acetyloxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(4-acetyloxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(OC(C)=O)cc2)nc1C.
What is the InChIKey of ethyl 2-[(4-acetyloxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is JKMRBUYXTDCEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-4-22-15(21)13-9(2)17-16(24-13)18-14(20)11-5-7-12(8-6-11)23-10(3)19/h5-8H,4H2,1-3H3,(H,17,18,20).
What are the key properties of ethyl 2-[(4-acetyloxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(4-acetyloxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 348.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-acetyloxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2992172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).