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

C18H22BrNS — CID 79834211

IUPAC4-(2-bromophenyl)-2-(3-ethylcyclohexyl)-5-methyl-1,3-thiazole
SMILESCCC1CCCC(c2nc(-c3ccccc3Br)c(C)s2)C1
InChIInChI=1S/C18H22BrNS/c1-3-13-7-6-8-14(11-13)18-20-17(12(2)21-18)15-9-4-5-10-16(15)19/h4-5,9-10,13-14H,3,6-8,11H2,1-2H3
InChIKeyLJWPLZDNLCNITA-UHFFFAOYSA-N
MW364.35 g/mol
LogP6.56
Rot. Bonds3

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

4-(2-bromophenyl)-2-(3-ethylcyclohexyl)-5-methyl-1,3-thiazole (PubChem CID 79834211) has the molecular formula C18H22BrNS and a molecular weight of 364.35 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-(3-ethylcyclohexyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-(3-ethylcyclohexyl)-5-methyl-1,3-thiazole
PubChem CID79834211
Molecular FormulaC18H22BrNS
Molecular Weight364.35 g/mol
Exact Mass363.07
IUPAC Name4-(2-bromophenyl)-2-(3-ethylcyclohexyl)-5-methyl-1,3-thiazole
SMILESCCC1CCCC(c2nc(-c3ccccc3Br)c(C)s2)C1
InChIInChI=1S/C18H22BrNS/c1-3-13-7-6-8-14(11-13)18-20-17(12(2)21-18)15-9-4-5-10-16(15)19/h4-5,9-10,13-14H,3,6-8,11H2,1-2H3
InChIKeyLJWPLZDNLCNITA-UHFFFAOYSA-N
XLogP6.56
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 ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-(3-ethylcyclohexyl)-5-methyl-1,3-thiazole?
The IUPAC name of 4-(2-bromophenyl)-2-(3-ethylcyclohexyl)-5-methyl-1,3-thiazole (CID 79834211) is 4-(2-bromophenyl)-2-(3-ethylcyclohexyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-(2-bromophenyl)-2-(3-ethylcyclohexyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-(2-bromophenyl)-2-(3-ethylcyclohexyl)-5-methyl-1,3-thiazole is CCC1CCCC(c2nc(-c3ccccc3Br)c(C)s2)C1.
What is the InChIKey of 4-(2-bromophenyl)-2-(3-ethylcyclohexyl)-5-methyl-1,3-thiazole?
The InChIKey is LJWPLZDNLCNITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNS/c1-3-13-7-6-8-14(11-13)18-20-17(12(2)21-18)15-9-4-5-10-16(15)19/h4-5,9-10,13-14H,3,6-8,11H2,1-2H3.
What are the key properties of 4-(2-bromophenyl)-2-(3-ethylcyclohexyl)-5-methyl-1,3-thiazole?
4-(2-bromophenyl)-2-(3-ethylcyclohexyl)-5-methyl-1,3-thiazole has a molecular weight of 364.35 g/mol, XLogP of 6.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-(3-ethylcyclohexyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 79834211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).