N-(3,5-dimethoxyphenyl)-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide

C21H23N3O3S — CID 50845444

IUPACN-(3,5-dimethoxyphenyl)-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2sc(Nc3ccc(C)cc3C)nc2C)cc(OC)c1
InChIInChI=1S/C21H23N3O3S/c1-12-6-7-18(13(2)8-12)24-21-22-14(3)19(28-21)20(25)23-15-9-16(26-4)11-17(10-15)27-5/h6-11H,1-5H3,(H,22,24)(H,23,25)
InChIKeySCTHZFMAJBOCJX-UHFFFAOYSA-N
MW397.50 g/mol
LogP5.08
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide

N-(3,5-dimethoxyphenyl)-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 50845444) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID50845444
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2sc(Nc3ccc(C)cc3C)nc2C)cc(OC)c1
InChIInChI=1S/C21H23N3O3S/c1-12-6-7-18(13(2)8-12)24-21-22-14(3)19(28-21)20(25)23-15-9-16(26-4)11-17(10-15)27-5/h6-11H,1-5H3,(H,22,24)(H,23,25)
InChIKeySCTHZFMAJBOCJX-UHFFFAOYSA-N
XLogP5.08
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethoxyphenyl)-4-methyl-2-(3-methylanilino)-1,3-thiazole-5-carboxamide
CID 53152783
2-(2,4-dimethylanilino)-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
CID 50845464
2-(2,4-dimethylanilino)-4-methyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-5-carboxamide
CID 53365550
N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365497
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142312
4-methyl-2-(4-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152942
methyl 5-acetyl-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxylate
CID 106696789
N-(3-chloro-4-methoxyphenyl)-4-methyl-2-(4-methylanilino)-1,3-thiazole-5-carboxamide
CID 53152974
2-[(2,5-difluorobenzoyl)amino]-N-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 23549123
2-(2-ethoxyanilino)-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152832
2-(2,4-dimethylanilino)-4-methyl-N-(4-phenylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 53365539

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide (CID 50845444) is N-(3,5-dimethoxyphenyl)-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide is COc1cc(NC(=O)c2sc(Nc3ccc(C)cc3C)nc2C)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is SCTHZFMAJBOCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-12-6-7-18(13(2)8-12)24-21-22-14(3)19(28-21)20(25)23-15-9-16(26-4)11-17(10-15)27-5/h6-11H,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide?
N-(3,5-dimethoxyphenyl)-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50845444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).