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

C16H12BrFN2S — CID 114895368

IUPAC[2-(5-bromo-2-fluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
SMILESNCc1nc(-c2cc(Br)ccc2F)sc1-c1ccccc1
InChIInChI=1S/C16H12BrFN2S/c17-11-6-7-13(18)12(8-11)16-20-14(9-19)15(21-16)10-4-2-1-3-5-10/h1-8H,9,19H2
InChIKeyPTUMWRONLIUGMM-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.84
Rot. Bonds3

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

[2-(5-bromo-2-fluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine (PubChem CID 114895368) has the molecular formula C16H12BrFN2S and a molecular weight of 363.26 g/mol. Its IUPAC name is [2-(5-bromo-2-fluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(5-bromo-2-fluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
PubChem CID114895368
Molecular FormulaC16H12BrFN2S
Molecular Weight363.26 g/mol
Exact Mass361.99
IUPAC Name[2-(5-bromo-2-fluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
SMILESNCc1nc(-c2cc(Br)ccc2F)sc1-c1ccccc1
InChIInChI=1S/C16H12BrFN2S/c17-11-6-7-13(18)12(8-11)16-20-14(9-19)15(21-16)10-4-2-1-3-5-10/h1-8H,9,19H2
InChIKeyPTUMWRONLIUGMM-UHFFFAOYSA-N
XLogP4.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,5-difluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64717494
(2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine
CID 133060775
[2-(2-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64718144
[2-(3-bromo-4-chlorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 115568396
[5-bromo-2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]methanamine
CID 116868261
[2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64717924
[2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64716446
[2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 79718586
2-[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine
CID 116884518
2-(4-ethyl-5-phenyl-1,3-thiazol-2-yl)aniline
CID 79007291
2-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-4-methyl-1,3-thiazole
CID 116885355
[2-[(4-fluorophenyl)methyl]-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64716657

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-fluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(5-bromo-2-fluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine (CID 114895368) is [2-(5-bromo-2-fluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(5-bromo-2-fluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(5-bromo-2-fluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine is NCc1nc(-c2cc(Br)ccc2F)sc1-c1ccccc1.
What is the InChIKey of [2-(5-bromo-2-fluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The InChIKey is PTUMWRONLIUGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2S/c17-11-6-7-13(18)12(8-11)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-(5-bromo-2-fluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
[2-(5-bromo-2-fluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine has a molecular weight of 363.26 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-fluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 114895368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).