4-(4-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole

C18H22BrNS — CID 79832012

IUPAC4-(4-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole
SMILESCC(C)C1CCC(c2nc(-c3ccc(Br)cc3)cs2)CC1
InChIInChI=1S/C18H22BrNS/c1-12(2)13-3-5-15(6-4-13)18-20-17(11-21-18)14-7-9-16(19)10-8-14/h7-13,15H,3-6H2,1-2H3
InChIKeyJTKRKOWKMDMIQQ-UHFFFAOYSA-N
MW364.35 g/mol
LogP6.50
Rot. Bonds3

About 4-(4-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole

4-(4-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole (PubChem CID 79832012) has the molecular formula C18H22BrNS and a molecular weight of 364.35 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole
PubChem CID79832012
Molecular FormulaC18H22BrNS
Molecular Weight364.35 g/mol
Exact Mass363.07
IUPAC Name4-(4-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole
SMILESCC(C)C1CCC(c2nc(-c3ccc(Br)cc3)cs2)CC1
InChIInChI=1S/C18H22BrNS/c1-12(2)13-3-5-15(6-4-13)18-20-17(11-21-18)14-7-9-16(19)10-8-14/h7-13,15H,3-6H2,1-2H3
InChIKeyJTKRKOWKMDMIQQ-UHFFFAOYSA-N
XLogP6.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.35
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride
CID 71319325
4-(4-bromophenyl)-2-(2,2-dimethylcyclopropyl)-1,3-thiazole
CID 107924759
4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62541961
4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol
CID 116966608
2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carbaldehyde
CID 65424819
[4-(2-cyclobutyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 64986273
4-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]aniline
CID 115998354
4-(4-chlorophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole
CID 7368784
4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine
CID 2756846
2-(1-ethylpiperidin-1-ium-4-yl)-4-(4-methylphenyl)-1,3-thiazole
CID 7038475
N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 35619010
4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride
CID 71319327

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole (CID 79832012) is 4-(4-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole is CC(C)C1CCC(c2nc(-c3ccc(Br)cc3)cs2)CC1.
What is the InChIKey of 4-(4-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole?
The InChIKey is JTKRKOWKMDMIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNS/c1-12(2)13-3-5-15(6-4-13)18-20-17(11-21-18)14-7-9-16(19)10-8-14/h7-13,15H,3-6H2,1-2H3.
What are the key properties of 4-(4-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole?
4-(4-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole has a molecular weight of 364.35 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole is sourced from PubChem (CID 79832012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).