[2-(3-bromo-4-chlorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine

C16H12BrClN2S — CID 115568396

IUPAC[2-(3-bromo-4-chlorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
SMILESNCc1nc(-c2ccc(Cl)c(Br)c2)sc1-c1ccccc1
InChIInChI=1S/C16H12BrClN2S/c17-12-8-11(6-7-13(12)18)16-20-14(9-19)15(21-16)10-4-2-1-3-5-10/h1-8H,9,19H2
InChIKeyHEBIHPYEPQCZPU-UHFFFAOYSA-N
MW379.71 g/mol
LogP5.35
Rot. Bonds3

About [2-(3-bromo-4-chlorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine

[2-(3-bromo-4-chlorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine (PubChem CID 115568396) has the molecular formula C16H12BrClN2S and a molecular weight of 379.71 g/mol. Its IUPAC name is [2-(3-bromo-4-chlorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-bromo-4-chlorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
PubChem CID115568396
Molecular FormulaC16H12BrClN2S
Molecular Weight379.71 g/mol
Exact Mass377.96
IUPAC Name[2-(3-bromo-4-chlorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
SMILESNCc1nc(-c2ccc(Cl)c(Br)c2)sc1-c1ccccc1
InChIInChI=1S/C16H12BrClN2S/c17-12-8-11(6-7-13(12)18)16-20-14(9-19)15(21-16)10-4-2-1-3-5-10/h1-8H,9,19H2
InChIKeyHEBIHPYEPQCZPU-UHFFFAOYSA-N
XLogP5.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.71
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine
CID 133060775
[2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64716446
[2-(5-bromo-2-fluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 114895368
[2-(2-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64718144
[2-(2,5-difluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64717494
4-benzyl-2,5-diphenyl-1,3-thiazole
CID 46862429
[2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64717924
2-bromo-1-chloro-4-(3-phenylphenyl)benzene
CID 178064983
[2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 79718586
1-[2-(4-bromophenyl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine
CID 64716452
5-(3-bromo-4-chlorophenyl)-1,2,4-thiadiazol-3-amine
CID 107994568
1-[2-(3-bromo-4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 115568387

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-chlorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(3-bromo-4-chlorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine (CID 115568396) is [2-(3-bromo-4-chlorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(3-bromo-4-chlorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(3-bromo-4-chlorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine is NCc1nc(-c2ccc(Cl)c(Br)c2)sc1-c1ccccc1.
What is the InChIKey of [2-(3-bromo-4-chlorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The InChIKey is HEBIHPYEPQCZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2S/c17-12-8-11(6-7-13(12)18)16-20-14(9-19)15(21-16)10-4-2-1-3-5-10/h1-8H,9,19H2.
What are the key properties of [2-(3-bromo-4-chlorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
[2-(3-bromo-4-chlorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine has a molecular weight of 379.71 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-4-chlorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 115568396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).