4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol

C15H16BrNOS — CID 116966608

IUPAC4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol
SMILESOC1CCC(c2nc(-c3cccc(Br)c3)cs2)CC1
InChIInChI=1S/C15H16BrNOS/c16-12-3-1-2-11(8-12)14-9-19-15(17-14)10-4-6-13(18)7-5-10/h1-3,8-10,13,18H,4-7H2
InChIKeyLYUPJYJFIYALRX-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.59
Rot. Bonds2

About 4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol

4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol (PubChem CID 116966608) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol
PubChem CID116966608
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol
SMILESOC1CCC(c2nc(-c3cccc(Br)c3)cs2)CC1
InChIInChI=1S/C15H16BrNOS/c16-12-3-1-2-11(8-12)14-9-19-15(17-14)10-4-6-13(18)7-5-10/h1-3,8-10,13,18H,4-7H2
InChIKeyLYUPJYJFIYALRX-UHFFFAOYSA-N
XLogP4.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole;chloride;hydrochloride
CID 44664830
4-(3-bromophenyl)-2-(1-ethylpiperidin-1-ium-4-yl)-1,3-thiazole
CID 1390058
4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclohexan-1-ol
CID 116966606
1-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 3853833
[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 3712618
(3-bromo-2,6-dimethoxyphenyl)-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 3715935
1-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-(2-methylphenyl)sulfanylpropan-1-one
CID 3375206
3-(2-cycloheptyl-1,3-thiazol-4-yl)benzoic acid
CID 65399902
[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 3755955
4-(3-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558221
3-(2-cyclobutyl-1,3-thiazol-4-yl)-N-methylaniline
CID 116888849
4-(3-bromophenyl)-2-(4-methylpiperazin-2-yl)-1,3-thiazole
CID 116966532

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol (CID 116966608) is 4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol is OC1CCC(c2nc(-c3cccc(Br)c3)cs2)CC1.
What is the InChIKey of 4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol?
The InChIKey is LYUPJYJFIYALRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c16-12-3-1-2-11(8-12)14-9-19-15(17-14)10-4-6-13(18)7-5-10/h1-3,8-10,13,18H,4-7H2.
What are the key properties of 4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol?
4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol has a molecular weight of 338.27 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 116966608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).