N-(2-bromo-5-chlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine

C15H12BrClN2S — CID 81275070

IUPACN-(2-bromo-5-chlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESClc1ccc(Br)c(NC2=NCC(c3ccccc3)S2)c1
InChIInChI=1S/C15H12BrClN2S/c16-12-7-6-11(17)8-13(12)19-15-18-9-14(20-15)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,18,19)
InChIKeyCKQPWUUYEJMFQZ-UHFFFAOYSA-N
MW367.70 g/mol
LogP5.36
Rot. Bonds2

About N-(2-bromo-5-chlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine

N-(2-bromo-5-chlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 81275070) has the molecular formula C15H12BrClN2S and a molecular weight of 367.70 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID81275070
Molecular FormulaC15H12BrClN2S
Molecular Weight367.70 g/mol
Exact Mass365.96
IUPAC NameN-(2-bromo-5-chlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESClc1ccc(Br)c(NC2=NCC(c3ccccc3)S2)c1
InChIInChI=1S/C15H12BrClN2S/c16-12-7-6-11(17)8-13(12)19-15-18-9-14(20-15)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,18,19)
InChIKeyCKQPWUUYEJMFQZ-UHFFFAOYSA-N
XLogP5.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.70
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-5-chlorophenyl)-5-phenyl-4,5-dihydro-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

N-(4-bromo-3-chlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107614108
N-(3,5-dichlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43385648
N-(2-bromo-5-chlorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 81275549
N-(2,4-difluorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43385114
N-(2-bromo-5-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 81275151
N-[(3-bromophenyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 61410146
N-(3-ethylphenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43385646
N-(5-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440055
(4S)-N-(2-bromo-5-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 81275237
N-pentan-3-yl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439586
N-(4-bromo-2,3-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107791746
N-(4-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2865536

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 81275070) is N-(2-bromo-5-chlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is Clc1ccc(Br)c(NC2=NCC(c3ccccc3)S2)c1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CKQPWUUYEJMFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2S/c16-12-7-6-11(17)8-13(12)19-15-18-9-14(20-15)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,18,19).
What are the key properties of N-(2-bromo-5-chlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-bromo-5-chlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 367.70 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 81275070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).