7-bicyclo[4.1.0]heptanyl-(4-bromo-1,3-thiazol-2-yl)methanone

C11H12BrNOS — CID 130956020

IUPAC7-bicyclo[4.1.0]heptanyl-(4-bromo-1,3-thiazol-2-yl)methanone
SMILESO=C(c1nc(Br)cs1)C1C2CCCCC21
InChIInChI=1S/C11H12BrNOS/c12-8-5-15-11(13-8)10(14)9-6-3-1-2-4-7(6)9/h5-7,9H,1-4H2
InChIKeyFCXFRGZLJMCUNX-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.52
Rot. Bonds2

About 7-bicyclo[4.1.0]heptanyl-(4-bromo-1,3-thiazol-2-yl)methanone

7-bicyclo[4.1.0]heptanyl-(4-bromo-1,3-thiazol-2-yl)methanone (PubChem CID 130956020) has the molecular formula C11H12BrNOS and a molecular weight of 286.19 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-(4-bromo-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-(4-bromo-1,3-thiazol-2-yl)methanone
PubChem CID130956020
Molecular FormulaC11H12BrNOS
Molecular Weight286.19 g/mol
Exact Mass284.98
IUPAC Name7-bicyclo[4.1.0]heptanyl-(4-bromo-1,3-thiazol-2-yl)methanone
SMILESO=C(c1nc(Br)cs1)C1C2CCCCC21
InChIInChI=1S/C11H12BrNOS/c12-8-5-15-11(13-8)10(14)9-6-3-1-2-4-7(6)9/h5-7,9H,1-4H2
InChIKeyFCXFRGZLJMCUNX-UHFFFAOYSA-N
XLogP3.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-(4-bromo-1,3-thiazol-2-yl)methanone?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-(4-bromo-1,3-thiazol-2-yl)methanone (CID 130956020) is 7-bicyclo[4.1.0]heptanyl-(4-bromo-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-(4-bromo-1,3-thiazol-2-yl)methanone?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-(4-bromo-1,3-thiazol-2-yl)methanone is O=C(c1nc(Br)cs1)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-(4-bromo-1,3-thiazol-2-yl)methanone?
The InChIKey is FCXFRGZLJMCUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNOS/c12-8-5-15-11(13-8)10(14)9-6-3-1-2-4-7(6)9/h5-7,9H,1-4H2.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-(4-bromo-1,3-thiazol-2-yl)methanone?
7-bicyclo[4.1.0]heptanyl-(4-bromo-1,3-thiazol-2-yl)methanone has a molecular weight of 286.19 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-(4-bromo-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 130956020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).