4-(2-bromophenyl)-5-methyl-2-(4-methylcyclohexyl)-1,3-thiazole

C17H20BrNS — CID 79839844

IUPAC4-(2-bromophenyl)-5-methyl-2-(4-methylcyclohexyl)-1,3-thiazole
SMILESCc1sc(C2CCC(C)CC2)nc1-c1ccccc1Br
InChIInChI=1S/C17H20BrNS/c1-11-7-9-13(10-8-11)17-19-16(12(2)20-17)14-5-3-4-6-15(14)18/h3-6,11,13H,7-10H2,1-2H3
InChIKeyMTYRVCIMBIKLFR-UHFFFAOYSA-N
MW350.33 g/mol
LogP6.17
Rot. Bonds2

About 4-(2-bromophenyl)-5-methyl-2-(4-methylcyclohexyl)-1,3-thiazole

4-(2-bromophenyl)-5-methyl-2-(4-methylcyclohexyl)-1,3-thiazole (PubChem CID 79839844) has the molecular formula C17H20BrNS and a molecular weight of 350.33 g/mol. Its IUPAC name is 4-(2-bromophenyl)-5-methyl-2-(4-methylcyclohexyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-bromophenyl)-5-methyl-2-(4-methylcyclohexyl)-1,3-thiazole
PubChem CID79839844
Molecular FormulaC17H20BrNS
Molecular Weight350.33 g/mol
Exact Mass349.05
IUPAC Name4-(2-bromophenyl)-5-methyl-2-(4-methylcyclohexyl)-1,3-thiazole
SMILESCc1sc(C2CCC(C)CC2)nc1-c1ccccc1Br
InChIInChI=1S/C17H20BrNS/c1-11-7-9-13(10-8-11)17-19-16(12(2)20-17)14-5-3-4-6-15(14)18/h3-6,11,13H,7-10H2,1-2H3
InChIKeyMTYRVCIMBIKLFR-UHFFFAOYSA-N
XLogP6.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.33
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-5-methyl-2-(4-methylcyclohexyl)-1,3-thiazole?
The IUPAC name of 4-(2-bromophenyl)-5-methyl-2-(4-methylcyclohexyl)-1,3-thiazole (CID 79839844) is 4-(2-bromophenyl)-5-methyl-2-(4-methylcyclohexyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-bromophenyl)-5-methyl-2-(4-methylcyclohexyl)-1,3-thiazole?
The canonical SMILES for 4-(2-bromophenyl)-5-methyl-2-(4-methylcyclohexyl)-1,3-thiazole is Cc1sc(C2CCC(C)CC2)nc1-c1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-5-methyl-2-(4-methylcyclohexyl)-1,3-thiazole?
The InChIKey is MTYRVCIMBIKLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNS/c1-11-7-9-13(10-8-11)17-19-16(12(2)20-17)14-5-3-4-6-15(14)18/h3-6,11,13H,7-10H2,1-2H3.
What are the key properties of 4-(2-bromophenyl)-5-methyl-2-(4-methylcyclohexyl)-1,3-thiazole?
4-(2-bromophenyl)-5-methyl-2-(4-methylcyclohexyl)-1,3-thiazole has a molecular weight of 350.33 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-5-methyl-2-(4-methylcyclohexyl)-1,3-thiazole is sourced from PubChem (CID 79839844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).