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

C16H18N2O6S — CID 155176323

IUPACethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(=O)c2cc(OC)c(OC)c(OC)c2)s1
InChIInChI=1S/C16H18N2O6S/c1-5-24-15(20)12-8-17-16(25-12)18-14(19)9-6-10(21-2)13(23-4)11(7-9)22-3/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyXCWUZTJWICAFRA-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.60
Rot. Bonds7

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

ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 155176323) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID155176323
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC Nameethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(=O)c2cc(OC)c(OC)c(OC)c2)s1
InChIInChI=1S/C16H18N2O6S/c1-5-24-15(20)12-8-17-16(25-12)18-14(19)9-6-10(21-2)13(23-4)11(7-9)22-3/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyXCWUZTJWICAFRA-UHFFFAOYSA-N
XLogP2.60
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[(3,4-dimethoxy-5-prop-2-enylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103816
3-bromo-4-ethoxy-5-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 4814407
ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 57394846
ethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate
CID 83306355
ethyl 2-[[3-(2-cyanophenoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 59735921
ethyl 2-[[3-(1-amino-2-methyl-1-oxopropan-2-yl)oxy-5-propan-2-yloxybenzoyl]amino]-1,3-thiazole-5-carboxylate
CID 87419506
ethyl 5-methyl-4-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
CID 2205035
ethyl 2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 4817060
diethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate
CID 108762104
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 30685113
ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1115914
N-propyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-5-carboxamide
CID 117092377

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate (CID 155176323) is ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(NC(=O)c2cc(OC)c(OC)c(OC)c2)s1.
What is the InChIKey of ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is XCWUZTJWICAFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S/c1-5-24-15(20)12-8-17-16(25-12)18-14(19)9-6-10(21-2)13(23-4)11(7-9)22-3/h6-8H,5H2,1-4H3,(H,17,18,19).
What are the key properties of ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate?
ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 366.40 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 155176323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).