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

C21H15ClN2OS — CID 2058278

IUPAC4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C21H15ClN2OS/c22-16-8-6-15(7-9-16)20-14-26-21(24-20)23-17-10-12-19(13-11-17)25-18-4-2-1-3-5-18/h1-14H,(H,23,24)
InChIKeyNDCHOZNNVSQVJC-UHFFFAOYSA-N
MW378.88 g/mol
LogP7.00
Rot. Bonds5

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

4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 2058278) has the molecular formula C21H15ClN2OS and a molecular weight of 378.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
PubChem CID2058278
Molecular FormulaC21H15ClN2OS
Molecular Weight378.88 g/mol
Exact Mass378.06
IUPAC Name4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C21H15ClN2OS/c22-16-8-6-15(7-9-16)20-14-26-21(24-20)23-17-10-12-19(13-11-17)25-18-4-2-1-3-5-18/h1-14H,(H,23,24)
InChIKeyNDCHOZNNVSQVJC-UHFFFAOYSA-N
XLogP7.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.88
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-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
N-aryl-4-aryl-1,3-thiazole-2-amine, 14
CID 25100732
N-aryl-4-aryl-1,3-thiazole-2-amine, 9
CID 25100738
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 1548457
N-aryl-4-aryl-1,3-thiazole-2-amine, 11
CID 12440836
N-aryl-4-aryl-1,3-thiazole-2-amine, 13
CID 25100731
4-(4-chlorophenyl)-N-(4-methoxyphenyl)thiazol-2-amine
CID 768022
N-(4-phenoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 873121
4-(4-(3,4-Dichlorophenyl)thiazol-2-ylamino)phenol
CID 877815
4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
CID 2254772
4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 4149421

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine (CID 2058278) is 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine is Clc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is NDCHOZNNVSQVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2OS/c22-16-8-6-15(7-9-16)20-14-26-21(24-20)23-17-10-12-19(13-11-17)25-18-4-2-1-3-5-18/h1-14H,(H,23,24).
What are the key properties of 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 378.88 g/mol, XLogP of 7.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2058278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).