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

C17H20N2O6S — CID 1112735

IUPACethyl 4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nc1C
InChIInChI=1S/C17H20N2O6S/c1-6-25-16(21)14-9(2)18-17(26-14)19-15(20)10-7-11(22-3)13(24-5)12(8-10)23-4/h7-8H,6H2,1-5H3,(H,18,19,20)
InChIKeyPKJQMAYRZAVRII-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.91
Rot. Bonds7

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

ethyl 4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 1112735) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID1112735
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Nameethyl 4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nc1C
InChIInChI=1S/C17H20N2O6S/c1-6-25-16(21)14-9(2)18-17(26-14)19-15(20)10-7-11(22-3)13(24-5)12(8-10)23-4/h7-8H,6H2,1-5H3,(H,18,19,20)
InChIKeyPKJQMAYRZAVRII-UHFFFAOYSA-N
XLogP2.91
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate (CID 1112735) is ethyl 4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is PKJQMAYRZAVRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6S/c1-6-25-16(21)14-9(2)18-17(26-14)19-15(20)10-7-11(22-3)13(24-5)12(8-10)23-4/h7-8H,6H2,1-5H3,(H,18,19,20).
What are the key properties of ethyl 4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 380.42 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 1112735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).