ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate

C15H16N2O4S — CID 51229930

IUPACethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(C)c(OC)c2)n1
InChIInChI=1S/C15H16N2O4S/c1-4-21-14(19)11-8-22-15(16-11)17-13(18)10-6-5-9(2)12(7-10)20-3/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyUEVLABGAMDFPMS-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.89
Rot. Bonds5

About ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 51229930) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID51229930
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Nameethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(C)c(OC)c2)n1
InChIInChI=1S/C15H16N2O4S/c1-4-21-14(19)11-8-22-15(16-11)17-13(18)10-6-5-9(2)12(7-10)20-3/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyUEVLABGAMDFPMS-UHFFFAOYSA-N
XLogP2.89
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17425685
ethyl 2-[[3-(diethylsulfamoyl)-4-methoxybenzoyl]amino]-1,3-thiazole-4-carboxylate
CID 55333801
ethyl 2-[[4-[4-[(4-ethoxycarbonyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 5218735
ethyl 2-[[3-(2-methoxy-2-oxoethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 55883031
ethyl 2-[(4-cyanobenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 748001
ethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 121167340
3-methoxy-4-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42009828
ethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 55333562
ethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 51146296
ethyl 2-[[4-(methylsulfonylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 51146352
ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 55333530
N-(4-aminobutyl)-2-[(3,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 19611226

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate (CID 51229930) is ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2ccc(C)c(OC)c2)n1.
What is the InChIKey of ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is UEVLABGAMDFPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-4-21-14(19)11-8-22-15(16-11)17-13(18)10-6-5-9(2)12(7-10)20-3/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 320.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 51229930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).