5-(2-bromocycloheptyl)-2-(trifluoromethyl)-1,3-thiazole

C11H13BrF3NS — CID 106784065

IUPAC5-(2-bromocycloheptyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(C2CCCCCC2Br)s1
InChIInChI=1S/C11H13BrF3NS/c12-8-5-3-1-2-4-7(8)9-6-16-10(17-9)11(13,14)15/h6-8H,1-5H2
InChIKeyLYMBNUSHPFCQDU-UHFFFAOYSA-N
MW328.20 g/mol
LogP4.97
Rot. Bonds1

About 5-(2-bromocycloheptyl)-2-(trifluoromethyl)-1,3-thiazole

5-(2-bromocycloheptyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784065) has the molecular formula C11H13BrF3NS and a molecular weight of 328.20 g/mol. Its IUPAC name is 5-(2-bromocycloheptyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2-bromocycloheptyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784065
Molecular FormulaC11H13BrF3NS
Molecular Weight328.20 g/mol
Exact Mass326.99
IUPAC Name5-(2-bromocycloheptyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(C2CCCCCC2Br)s1
InChIInChI=1S/C11H13BrF3NS/c12-8-5-3-1-2-4-7(8)9-6-16-10(17-9)11(13,14)15/h6-8H,1-5H2
InChIKeyLYMBNUSHPFCQDU-UHFFFAOYSA-N
XLogP4.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 54.97
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

5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
5-(2-Methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 137444283
5-Butan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 144868136
5-Nonan-3-yl-2-(trifluoromethyl)-1,3-thiazole
CID 146558774
5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole
CID 166826846
5-Octan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 167185113
5-(1,1-Difluoro-2-methylbutyl)-2-methyl-1,3-thiazole
CID 170423974
5-(2-Chlorocycloheptyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784061
5-(2-Bromocyclohexyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784063
5-(2-Bromocyclopentyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784064
5-(3-Bromobutan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784067
N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cycloheptan-1-amine
CID 106784159

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromocycloheptyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(2-bromocycloheptyl)-2-(trifluoromethyl)-1,3-thiazole (CID 106784065) is 5-(2-bromocycloheptyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(2-bromocycloheptyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(2-bromocycloheptyl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1ncc(C2CCCCCC2Br)s1.
What is the InChIKey of 5-(2-bromocycloheptyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is LYMBNUSHPFCQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NS/c12-8-5-3-1-2-4-7(8)9-6-16-10(17-9)11(13,14)15/h6-8H,1-5H2.
What are the key properties of 5-(2-bromocycloheptyl)-2-(trifluoromethyl)-1,3-thiazole?
5-(2-bromocycloheptyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 328.20 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromocycloheptyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).