5-bromo-2-(3-fluorocyclobutyl)-1,3-thiazole

C7H7BrFNS — CID 154635775

IUPAC5-bromo-2-(3-fluorocyclobutyl)-1,3-thiazole
SMILESFC1CC(c2ncc(Br)s2)C1
InChIInChI=1S/C7H7BrFNS/c8-6-3-10-7(11-6)4-1-5(9)2-4/h3-5H,1-2H2
InChIKeyKAECXKYQXALOTH-UHFFFAOYSA-N
MW236.11 g/mol
LogP3.12
Rot. Bonds1

About 5-bromo-2-(3-fluorocyclobutyl)-1,3-thiazole

5-bromo-2-(3-fluorocyclobutyl)-1,3-thiazole (PubChem CID 154635775) has the molecular formula C7H7BrFNS and a molecular weight of 236.11 g/mol. Its IUPAC name is 5-bromo-2-(3-fluorocyclobutyl)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(3-fluorocyclobutyl)-1,3-thiazole
PubChem CID154635775
Molecular FormulaC7H7BrFNS
Molecular Weight236.11 g/mol
Exact Mass234.95
IUPAC Name5-bromo-2-(3-fluorocyclobutyl)-1,3-thiazole
SMILESFC1CC(c2ncc(Br)s2)C1
InChIInChI=1S/C7H7BrFNS/c8-6-3-10-7(11-6)4-1-5(9)2-4/h3-5H,1-2H2
InChIKeyKAECXKYQXALOTH-UHFFFAOYSA-N
XLogP3.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-fluorocyclobutyl)-1,3-thiazole?
The IUPAC name of 5-bromo-2-(3-fluorocyclobutyl)-1,3-thiazole (CID 154635775) is 5-bromo-2-(3-fluorocyclobutyl)-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(3-fluorocyclobutyl)-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(3-fluorocyclobutyl)-1,3-thiazole is FC1CC(c2ncc(Br)s2)C1.
What is the InChIKey of 5-bromo-2-(3-fluorocyclobutyl)-1,3-thiazole?
The InChIKey is KAECXKYQXALOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNS/c8-6-3-10-7(11-6)4-1-5(9)2-4/h3-5H,1-2H2.
What are the key properties of 5-bromo-2-(3-fluorocyclobutyl)-1,3-thiazole?
5-bromo-2-(3-fluorocyclobutyl)-1,3-thiazole has a molecular weight of 236.11 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-fluorocyclobutyl)-1,3-thiazole is sourced from PubChem (CID 154635775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).