2-[(3,5-dimethoxybenzoyl)amino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide

C21H21N3O5S — CID 16915265

IUPAC2-[(3,5-dimethoxybenzoyl)amino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1csc(NC(=O)c2cc(OC)cc(OC)c2)n1
InChIInChI=1S/C21H21N3O5S/c1-4-29-18-8-6-5-7-16(18)22-20(26)17-12-30-21(23-17)24-19(25)13-9-14(27-2)11-15(10-13)28-3/h5-12H,4H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyRQGPFPYXADLRQH-UHFFFAOYSA-N
MW427.48 g/mol
LogP4.06
Rot. Bonds8

About 2-[(3,5-dimethoxybenzoyl)amino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide

2-[(3,5-dimethoxybenzoyl)amino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 16915265) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is 2-[(3,5-dimethoxybenzoyl)amino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dimethoxybenzoyl)amino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID16915265
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC Name2-[(3,5-dimethoxybenzoyl)amino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1csc(NC(=O)c2cc(OC)cc(OC)c2)n1
InChIInChI=1S/C21H21N3O5S/c1-4-29-18-8-6-5-7-16(18)22-20(26)17-12-30-21(23-17)24-19(25)13-9-14(27-2)11-15(10-13)28-3/h5-12H,4H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyRQGPFPYXADLRQH-UHFFFAOYSA-N
XLogP4.06
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3,5-dimethoxybenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915246
2-[(3,5-dimethoxybenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16915286
N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 26841919
2-[(3,5-dimethoxybenzoyl)amino]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16915255
N-(2-bromophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550351
N-(3,4-difluorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915276
N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19195203
N-cyclopentyl-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915218
2-(aminomethyl)-N-(2-ethoxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119774063
3,5-dichloro-N-(2-ethoxyphenyl)benzamide
CID 2442507
2-(2-aminoethyl)-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616687

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxybenzoyl)amino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3,5-dimethoxybenzoyl)amino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide (CID 16915265) is 2-[(3,5-dimethoxybenzoyl)amino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3,5-dimethoxybenzoyl)amino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3,5-dimethoxybenzoyl)amino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide is CCOc1ccccc1NC(=O)c1csc(NC(=O)c2cc(OC)cc(OC)c2)n1.
What is the InChIKey of 2-[(3,5-dimethoxybenzoyl)amino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RQGPFPYXADLRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-4-29-18-8-6-5-7-16(18)22-20(26)17-12-30-21(23-17)24-19(25)13-9-14(27-2)11-15(10-13)28-3/h5-12H,4H2,1-3H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-[(3,5-dimethoxybenzoyl)amino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
2-[(3,5-dimethoxybenzoyl)amino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxybenzoyl)amino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16915265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).