ethyl 2-[2-(4-methoxyphenyl)butanoylamino]-1,3-thiazole-5-carboxylate

C17H20N2O4S — CID 86676947

IUPACethyl 2-[2-(4-methoxyphenyl)butanoylamino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(=O)C(CC)c2ccc(OC)cc2)s1
InChIInChI=1S/C17H20N2O4S/c1-4-13(11-6-8-12(22-3)9-7-11)15(20)19-17-18-10-14(24-17)16(21)23-5-2/h6-10,13H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyUFGATRPYFKMYKH-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.46
Rot. Bonds7

About ethyl 2-[2-(4-methoxyphenyl)butanoylamino]-1,3-thiazole-5-carboxylate

ethyl 2-[2-(4-methoxyphenyl)butanoylamino]-1,3-thiazole-5-carboxylate (PubChem CID 86676947) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is ethyl 2-[2-(4-methoxyphenyl)butanoylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(4-methoxyphenyl)butanoylamino]-1,3-thiazole-5-carboxylate
PubChem CID86676947
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Nameethyl 2-[2-(4-methoxyphenyl)butanoylamino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(=O)C(CC)c2ccc(OC)cc2)s1
InChIInChI=1S/C17H20N2O4S/c1-4-13(11-6-8-12(22-3)9-7-11)15(20)19-17-18-10-14(24-17)16(21)23-5-2/h6-10,13H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyUFGATRPYFKMYKH-UHFFFAOYSA-N
XLogP3.46
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate
CID 83306355
ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 155176323
(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide
CID 845796
ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 57394846
N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 54917989
2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide
CID 153113467
methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 80570836
N-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 90603621
ethyl 3-methyl-5-[[(2R)-2-phenylbutanoyl]amino]thiophene-2-carboxylate
CID 40972106
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 58033083
(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-aminobutanamide;hydrochloride
CID 119329727
3-[2-(4-methoxyphenyl)butanoylamino]-3-methylbutanamide
CID 119051202

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-methoxyphenyl)butanoylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[2-(4-methoxyphenyl)butanoylamino]-1,3-thiazole-5-carboxylate (CID 86676947) is ethyl 2-[2-(4-methoxyphenyl)butanoylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[2-(4-methoxyphenyl)butanoylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[2-(4-methoxyphenyl)butanoylamino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(NC(=O)C(CC)c2ccc(OC)cc2)s1.
What is the InChIKey of ethyl 2-[2-(4-methoxyphenyl)butanoylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is UFGATRPYFKMYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-4-13(11-6-8-12(22-3)9-7-11)15(20)19-17-18-10-14(24-17)16(21)23-5-2/h6-10,13H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of ethyl 2-[2-(4-methoxyphenyl)butanoylamino]-1,3-thiazole-5-carboxylate?
ethyl 2-[2-(4-methoxyphenyl)butanoylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 348.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-methoxyphenyl)butanoylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 86676947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).