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

C21H21N3O6S — CID 16915286

IUPAC2-[(3,5-dimethoxybenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc(C(=O)Nc3cc(OC)ccc3OC)cs2)c1
InChIInChI=1S/C21H21N3O6S/c1-27-13-5-6-18(30-4)16(10-13)22-20(26)17-11-31-21(23-17)24-19(25)12-7-14(28-2)9-15(8-12)29-3/h5-11H,1-4H3,(H,22,26)(H,23,24,25)
InChIKeyNMRPBIJEZUASJQ-UHFFFAOYSA-N
MW443.48 g/mol
LogP3.68
Rot. Bonds8

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

2-[(3,5-dimethoxybenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 16915286) has the molecular formula C21H21N3O6S and a molecular weight of 443.48 g/mol. Its IUPAC name is 2-[(3,5-dimethoxybenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dimethoxybenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID16915286
Molecular FormulaC21H21N3O6S
Molecular Weight443.48 g/mol
Exact Mass443.12
IUPAC Name2-[(3,5-dimethoxybenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc(C(=O)Nc3cc(OC)ccc3OC)cs2)c1
InChIInChI=1S/C21H21N3O6S/c1-27-13-5-6-18(30-4)16(10-13)22-20(26)17-11-31-21(23-17)24-19(25)12-7-14(28-2)9-15(8-12)29-3/h5-11H,1-4H3,(H,22,26)(H,23,24,25)
InChIKeyNMRPBIJEZUASJQ-UHFFFAOYSA-N
XLogP3.68
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(3,5-dimethoxybenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915246
N-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506217
2-[(3,5-dimethoxybenzoyl)amino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16915265
2-[(3,5-dimethoxybenzoyl)amino]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16915255
N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550344
N-(3,4-difluorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915276
N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110409324
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 7603429
2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 16955157
N-cyclopentyl-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915218
N-(2-bromophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550351
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605035

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxybenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3,5-dimethoxybenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide (CID 16915286) is 2-[(3,5-dimethoxybenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3,5-dimethoxybenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3,5-dimethoxybenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide is COc1cc(OC)cc(C(=O)Nc2nc(C(=O)Nc3cc(OC)ccc3OC)cs2)c1.
What is the InChIKey of 2-[(3,5-dimethoxybenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NMRPBIJEZUASJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O6S/c1-27-13-5-6-18(30-4)16(10-13)22-20(26)17-11-31-21(23-17)24-19(25)12-7-14(28-2)9-15(8-12)29-3/h5-11H,1-4H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-[(3,5-dimethoxybenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
2-[(3,5-dimethoxybenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxybenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16915286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).