4-(2-bromophenyl)-2-cyclohexyl-1,3-thiazole

C15H16BrNS — CID 79831061

IUPAC4-(2-bromophenyl)-2-cyclohexyl-1,3-thiazole
SMILESBrc1ccccc1-c1csc(C2CCCCC2)n1
InChIInChI=1S/C15H16BrNS/c16-13-9-5-4-8-12(13)14-10-18-15(17-14)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2
InChIKeyUQMLQZADCDQUME-UHFFFAOYSA-N
MW322.27 g/mol
LogP5.62
Rot. Bonds2

About 4-(2-bromophenyl)-2-cyclohexyl-1,3-thiazole

4-(2-bromophenyl)-2-cyclohexyl-1,3-thiazole (PubChem CID 79831061) has the molecular formula C15H16BrNS and a molecular weight of 322.27 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-cyclohexyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-cyclohexyl-1,3-thiazole
PubChem CID79831061
Molecular FormulaC15H16BrNS
Molecular Weight322.27 g/mol
Exact Mass321.02
IUPAC Name4-(2-bromophenyl)-2-cyclohexyl-1,3-thiazole
SMILESBrc1ccccc1-c1csc(C2CCCCC2)n1
InChIInChI=1S/C15H16BrNS/c16-13-9-5-4-8-12(13)14-10-18-15(17-14)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2
InChIKeyUQMLQZADCDQUME-UHFFFAOYSA-N
XLogP5.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.27
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromophenyl)-2-cyclooctyl-1,3-thiazole
CID 80611391
4-(2-bromophenyl)-2-(4-ethylcyclohexyl)-1,3-thiazole
CID 79831597
4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-1,3-thiazole
CID 79832741
4-(2-methylphenyl)-2-piperidin-4-yl-1,3-thiazole
CID 55084434
4-(2-bromophenyl)-5-cycloheptyl-1H-pyrazol-3-amine
CID 62830687
4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 8963860
2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole
CID 116888718
3-(2-cycloheptyl-1,3-thiazol-4-yl)benzoic acid
CID 65399902
4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 112700792
4-(4-cyclohexyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 116965467
5-(2-bromophenyl)-2-cyclohexyl-3-methylimidazol-4-amine
CID 62222947
[4-(2-bromophenyl)-1,3-thiazol-2-yl]-phenylmethanamine
CID 61337111

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-cyclohexyl-1,3-thiazole?
The IUPAC name of 4-(2-bromophenyl)-2-cyclohexyl-1,3-thiazole (CID 79831061) is 4-(2-bromophenyl)-2-cyclohexyl-1,3-thiazole.
What is the SMILES notation for 4-(2-bromophenyl)-2-cyclohexyl-1,3-thiazole?
The canonical SMILES for 4-(2-bromophenyl)-2-cyclohexyl-1,3-thiazole is Brc1ccccc1-c1csc(C2CCCCC2)n1.
What is the InChIKey of 4-(2-bromophenyl)-2-cyclohexyl-1,3-thiazole?
The InChIKey is UQMLQZADCDQUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNS/c16-13-9-5-4-8-12(13)14-10-18-15(17-14)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2.
What are the key properties of 4-(2-bromophenyl)-2-cyclohexyl-1,3-thiazole?
4-(2-bromophenyl)-2-cyclohexyl-1,3-thiazole has a molecular weight of 322.27 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-cyclohexyl-1,3-thiazole is sourced from PubChem (CID 79831061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).