1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine

C15H16BrFN2S — CID 62915540

IUPAC1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
SMILESNC1(c2nc(-c3ccc(F)c(Br)c3)cs2)CCCCC1
InChIInChI=1S/C15H16BrFN2S/c16-11-8-10(4-5-12(11)17)13-9-20-14(19-13)15(18)6-2-1-3-7-15/h4-5,8-9H,1-3,6-7,18H2
InChIKeyHWHHEXPGIOHSML-UHFFFAOYSA-N
MW355.28 g/mol
LogP4.83
Rot. Bonds2

About 1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine

1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine (PubChem CID 62915540) has the molecular formula C15H16BrFN2S and a molecular weight of 355.28 g/mol. Its IUPAC name is 1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
PubChem CID62915540
Molecular FormulaC15H16BrFN2S
Molecular Weight355.28 g/mol
Exact Mass354.02
IUPAC Name1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
SMILESNC1(c2nc(-c3ccc(F)c(Br)c3)cs2)CCCCC1
InChIInChI=1S/C15H16BrFN2S/c16-11-8-10(4-5-12(11)17)13-9-20-14(19-13)15(18)6-2-1-3-7-15/h4-5,8-9H,1-3,6-7,18H2
InChIKeyHWHHEXPGIOHSML-UHFFFAOYSA-N
XLogP4.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 55132526
1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61338251
1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 62943829
1-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
CID 120558286
1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine
CID 61338065
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
CID 61338059
1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 82967342
1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine
CID 61338856
1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
CID 120558257
1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61336894
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
CID 120558260
1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61336316

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine?
The IUPAC name of 1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine (CID 62915540) is 1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine is NC1(c2nc(-c3ccc(F)c(Br)c3)cs2)CCCCC1.
What is the InChIKey of 1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine?
The InChIKey is HWHHEXPGIOHSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2S/c16-11-8-10(4-5-12(11)17)13-9-20-14(19-13)15(18)6-2-1-3-7-15/h4-5,8-9H,1-3,6-7,18H2.
What are the key properties of 1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine?
1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine has a molecular weight of 355.28 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 62915540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).