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

C16H12BrFN2S — CID 82954381

IUPAC[3-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]methanamine
SMILESNCc1cccc(-c2nc(-c3ccc(Br)cc3F)cs2)c1
InChIInChI=1S/C16H12BrFN2S/c17-12-4-5-13(14(18)7-12)15-9-21-16(20-15)11-3-1-2-10(6-11)8-19/h1-7,9H,8,19H2
InChIKeyFHLMVJHFNFGMJS-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.84
Rot. Bonds3

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

[3-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]methanamine (PubChem CID 82954381) has the molecular formula C16H12BrFN2S and a molecular weight of 363.26 g/mol. Its IUPAC name is [3-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]methanamine
PubChem CID82954381
Molecular FormulaC16H12BrFN2S
Molecular Weight363.26 g/mol
Exact Mass361.99
IUPAC Name[3-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]methanamine
SMILESNCc1cccc(-c2nc(-c3ccc(Br)cc3F)cs2)c1
InChIInChI=1S/C16H12BrFN2S/c17-12-4-5-13(14(18)7-12)15-9-21-16(20-15)11-3-1-2-10(6-11)8-19/h1-7,9H,8,19H2
InChIKeyFHLMVJHFNFGMJS-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

[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983740
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
[4-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 82788931
[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983781
[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152435
[3-[4-(3,5-dichloro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983767
[3-(4-propyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558535
4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
CID 78907524
[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152203
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline
CID 82966780
3-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]phenol
CID 28942301
1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 114906976

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
The IUPAC name of [3-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]methanamine (CID 82954381) is [3-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]methanamine.
What is the SMILES notation for [3-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
The canonical SMILES for [3-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]methanamine is NCc1cccc(-c2nc(-c3ccc(Br)cc3F)cs2)c1.
What is the InChIKey of [3-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
The InChIKey is FHLMVJHFNFGMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2S/c17-12-4-5-13(14(18)7-12)15-9-21-16(20-15)11-3-1-2-10(6-11)8-19/h1-7,9H,8,19H2.
What are the key properties of [3-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
[3-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]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 [3-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]methanamine is sourced from PubChem (CID 82954381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).