4-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine

C17H15ClN2O2S — CID 58911052

IUPAC4-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OC
InChIInChI=1S/C17H15ClN2O2S/c1-21-15-8-7-13(9-16(15)22-2)19-17-20-14(10-23-17)11-3-5-12(18)6-4-11/h3-10H,1-2H3,(H,19,20)
InChIKeyCETVTNJJWXYUIM-UHFFFAOYSA-N
MW346.84 g/mol
LogP5.22
Rot. Bonds5

About 4-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 58911052) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID58911052
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC Name4-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OC
InChIInChI=1S/C17H15ClN2O2S/c1-21-15-8-7-13(9-16(15)22-2)19-17-20-14(10-23-17)11-3-5-12(18)6-4-11/h3-10H,1-2H3,(H,19,20)
InChIKeyCETVTNJJWXYUIM-UHFFFAOYSA-N
XLogP5.22
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.84
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine 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

4-((4-(4-Chlorophenyl)-2-thiazolyl)amino)phenol
CID 753704
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 1548457
4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 4521790
4-(4-chlorophenyl)-N-(4-methoxyphenyl)thiazol-2-amine
CID 768022
4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 4149421
3-{[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 877802
4-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 2056391
N-(1,3-benzodioxol-5-yl)-4-phenyl-1,3-thiazol-2-amine
CID 684847
4-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 722563
N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 873133
4-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 972713

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine (CID 58911052) is 4-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OC.
What is the InChIKey of 4-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is CETVTNJJWXYUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-21-15-8-7-13(9-16(15)22-2)19-17-20-14(10-23-17)11-3-5-12(18)6-4-11/h3-10H,1-2H3,(H,19,20).
What are the key properties of 4-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 346.84 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58911052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).