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

C19H15F2N3O4S — CID 16915276

IUPACN-(3,4-difluorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc(C(=O)Nc3ccc(F)c(F)c3)cs2)c1
InChIInChI=1S/C19H15F2N3O4S/c1-27-12-5-10(6-13(8-12)28-2)17(25)24-19-23-16(9-29-19)18(26)22-11-3-4-14(20)15(21)7-11/h3-9H,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyCPAQYAAONYRWFY-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.94
Rot. Bonds6

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

N-(3,4-difluorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 16915276) has the molecular formula C19H15F2N3O4S and a molecular weight of 419.41 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID16915276
Molecular FormulaC19H15F2N3O4S
Molecular Weight419.41 g/mol
Exact Mass419.08
IUPAC NameN-(3,4-difluorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc(C(=O)Nc3ccc(F)c(F)c3)cs2)c1
InChIInChI=1S/C19H15F2N3O4S/c1-27-12-5-10(6-13(8-12)28-2)17(25)24-19-23-16(9-29-19)18(26)22-11-3-4-14(20)15(21)7-11/h3-9H,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyCPAQYAAONYRWFY-UHFFFAOYSA-N
XLogP3.94
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3,4-difluorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,5-dimethoxybenzoyl)amino]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16915255
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-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550344
2-chloro-5-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 84550439
2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16914974
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105
N-cyclopentyl-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915218
2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915123
2-[(3,5-dimethoxybenzoyl)amino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16915265
2-[(4-methoxybenzoyl)amino]-N-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 84550584
3,5-dimethoxy-N-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 16915191

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (CID 16915276) is N-(3,4-difluorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is COc1cc(OC)cc(C(=O)Nc2nc(C(=O)Nc3ccc(F)c(F)c3)cs2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is CPAQYAAONYRWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O4S/c1-27-12-5-10(6-13(8-12)28-2)17(25)24-19-23-16(9-29-19)18(26)22-11-3-4-14(20)15(21)7-11/h3-9H,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of N-(3,4-difluorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
N-(3,4-difluorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16915276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).