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

C12H18BrNS — CID 165498217

IUPAC2-(5-bromo-2-ethylcyclohexyl)-4-methyl-1,3-thiazole
SMILESCCC1CCC(Br)CC1c1nc(C)cs1
InChIInChI=1S/C12H18BrNS/c1-3-9-4-5-10(13)6-11(9)12-14-8(2)7-15-12/h7,9-11H,3-6H2,1-2H3
InChIKeyWFPBSZIUJHCBPX-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.51
Rot. Bonds2

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

2-(5-bromo-2-ethylcyclohexyl)-4-methyl-1,3-thiazole (PubChem CID 165498217) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is 2-(5-bromo-2-ethylcyclohexyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(5-bromo-2-ethylcyclohexyl)-4-methyl-1,3-thiazole
PubChem CID165498217
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name2-(5-bromo-2-ethylcyclohexyl)-4-methyl-1,3-thiazole
SMILESCCC1CCC(Br)CC1c1nc(C)cs1
InChIInChI=1S/C12H18BrNS/c1-3-9-4-5-10(13)6-11(9)12-14-8(2)7-15-12/h7,9-11H,3-6H2,1-2H3
InChIKeyWFPBSZIUJHCBPX-UHFFFAOYSA-N
XLogP4.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]cyclopropanamine
CID 104771669
2-methyl-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine
CID 104771672
2-methoxy-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine
CID 104771675
2-(5-bromo-2-ethylcyclohexyl)-1-methylimidazole
CID 165498137
3-(5-bromo-2-ethylcyclohexyl)pyridine
CID 165498132
4-methyl-2-piperidin-4-yl-1,3-thiazole
CID 23404938
4-methyl-2-(3-methylidenecyclobutyl)-1,3-thiazole
CID 167193666
N-(2-ethylcyclohexyl)-4-methyl-1,3-thiazol-2-amine
CID 61469795
2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole
CID 19974066
1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 141271685
4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole
CID 93492448
1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 55252390

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-ethylcyclohexyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(5-bromo-2-ethylcyclohexyl)-4-methyl-1,3-thiazole (CID 165498217) is 2-(5-bromo-2-ethylcyclohexyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(5-bromo-2-ethylcyclohexyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(5-bromo-2-ethylcyclohexyl)-4-methyl-1,3-thiazole is CCC1CCC(Br)CC1c1nc(C)cs1.
What is the InChIKey of 2-(5-bromo-2-ethylcyclohexyl)-4-methyl-1,3-thiazole?
The InChIKey is WFPBSZIUJHCBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-3-9-4-5-10(13)6-11(9)12-14-8(2)7-15-12/h7,9-11H,3-6H2,1-2H3.
What are the key properties of 2-(5-bromo-2-ethylcyclohexyl)-4-methyl-1,3-thiazole?
2-(5-bromo-2-ethylcyclohexyl)-4-methyl-1,3-thiazole has a molecular weight of 288.25 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-ethylcyclohexyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 165498217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).