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

C15H16N2O5S — CID 2327631

IUPACethyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C15H16N2O5S/c1-4-22-14(19)10-8-23-15(16-10)17-13(18)9-5-6-11(20-2)12(7-9)21-3/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyWLQDTBDHAVNKQJ-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.59
Rot. Bonds6

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

ethyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 2327631) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is ethyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID2327631
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Nameethyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C15H16N2O5S/c1-4-22-14(19)10-8-23-15(16-10)17-13(18)9-5-6-11(20-2)12(7-9)21-3/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyWLQDTBDHAVNKQJ-UHFFFAOYSA-N
XLogP2.59
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-N-(4-methylthiazol-2-yl)benzamide
CID 2679292
N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 673339
2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 897375
Ethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 2381436
N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4879505
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
CID 737692
Ethyl {2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 784187
3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721807
Ethyl 2-(3,4,5-trimethoxybenzamido)thiazole-4-carboxylate
CID 1359240
3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 2469116
3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 5191473
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2550621

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate (CID 2327631) is ethyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of ethyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is WLQDTBDHAVNKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-4-22-14(19)10-8-23-15(16-10)17-13(18)9-5-6-11(20-2)12(7-9)21-3/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of ethyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 336.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2327631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).