N-[3-[2-(5-chloro-2-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide

C22H24ClN3O2S — CID 25130141

IUPACN-[3-[2-(5-chloro-2-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(Cl)cc1Nc1nc(-c2cccc(NC(=O)C(C)(C)C)c2)c(C)s1
InChIInChI=1S/C22H24ClN3O2S/c1-13-19(14-7-6-8-16(11-14)24-20(27)22(2,3)4)26-21(29-13)25-17-12-15(23)9-10-18(17)28-5/h6-12H,1-5H3,(H,24,27)(H,25,26)
InChIKeyGLVXKYJSOKRJNB-UHFFFAOYSA-N
MW429.97 g/mol
LogP6.51
Rot. Bonds5

About N-[3-[2-(5-chloro-2-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide

N-[3-[2-(5-chloro-2-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide (PubChem CID 25130141) has the molecular formula C22H24ClN3O2S and a molecular weight of 429.97 g/mol. Its IUPAC name is N-[3-[2-(5-chloro-2-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[2-(5-chloro-2-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide
PubChem CID25130141
Molecular FormulaC22H24ClN3O2S
Molecular Weight429.97 g/mol
Exact Mass429.13
IUPAC NameN-[3-[2-(5-chloro-2-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(Cl)cc1Nc1nc(-c2cccc(NC(=O)C(C)(C)C)c2)c(C)s1
InChIInChI=1S/C22H24ClN3O2S/c1-13-19(14-7-6-8-16(11-14)24-20(27)22(2,3)4)26-21(29-13)25-17-12-15(23)9-10-18(17)28-5/h6-12H,1-5H3,(H,24,27)(H,25,26)
InChIKeyGLVXKYJSOKRJNB-UHFFFAOYSA-N
XLogP6.51
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.97
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-(5-chloro-2-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide 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

N-[4-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 25265036
N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide
CID 5135607
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113047959
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 2541899
3-amino-N-[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 39183232
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 19194860
1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
CID 1185920
N-(5-chloro-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897513
4-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine
CID 55025921
2-(4-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 108761142
N-(5-chloro-2-methoxyphenyl)-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968143
(E)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-cyano-3-(2-methoxyphenyl)prop-2-enamide
CID 19195587

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(5-chloro-2-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[2-(5-chloro-2-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide (CID 25130141) is N-[3-[2-(5-chloro-2-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[2-(5-chloro-2-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[2-(5-chloro-2-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide is COc1ccc(Cl)cc1Nc1nc(-c2cccc(NC(=O)C(C)(C)C)c2)c(C)s1.
What is the InChIKey of N-[3-[2-(5-chloro-2-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is GLVXKYJSOKRJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2S/c1-13-19(14-7-6-8-16(11-14)24-20(27)22(2,3)4)26-21(29-13)25-17-12-15(23)9-10-18(17)28-5/h6-12H,1-5H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-[2-(5-chloro-2-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide?
N-[3-[2-(5-chloro-2-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 429.97 g/mol, XLogP of 6.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(5-chloro-2-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 25130141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).