3-(2-bromoprop-2-enyl)-1,3-thiazol-2-one

C6H6BrNOS — CID 115646883

IUPAC3-(2-bromoprop-2-enyl)-1,3-thiazol-2-one
SMILESC=C(Br)Cn1ccsc1=O
InChIInChI=1S/C6H6BrNOS/c1-5(7)4-8-2-3-10-6(8)9/h2-3H,1,4H2
InChIKeyADBVSMGVQIIWLW-UHFFFAOYSA-N
MW220.09 g/mol
LogP1.82
Rot. Bonds2

About 3-(2-bromoprop-2-enyl)-1,3-thiazol-2-one

3-(2-bromoprop-2-enyl)-1,3-thiazol-2-one (PubChem CID 115646883) has the molecular formula C6H6BrNOS and a molecular weight of 220.09 g/mol. Its IUPAC name is 3-(2-bromoprop-2-enyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-bromoprop-2-enyl)-1,3-thiazol-2-one
PubChem CID115646883
Molecular FormulaC6H6BrNOS
Molecular Weight220.09 g/mol
Exact Mass218.94
IUPAC Name3-(2-bromoprop-2-enyl)-1,3-thiazol-2-one
SMILESC=C(Br)Cn1ccsc1=O
InChIInChI=1S/C6H6BrNOS/c1-5(7)4-8-2-3-10-6(8)9/h2-3H,1,4H2
InChIKeyADBVSMGVQIIWLW-UHFFFAOYSA-N
XLogP1.82
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.09
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoprop-2-enyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(2-bromoprop-2-enyl)-1,3-thiazol-2-one (CID 115646883) is 3-(2-bromoprop-2-enyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-bromoprop-2-enyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-bromoprop-2-enyl)-1,3-thiazol-2-one is C=C(Br)Cn1ccsc1=O.
What is the InChIKey of 3-(2-bromoprop-2-enyl)-1,3-thiazol-2-one?
The InChIKey is ADBVSMGVQIIWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNOS/c1-5(7)4-8-2-3-10-6(8)9/h2-3H,1,4H2.
What are the key properties of 3-(2-bromoprop-2-enyl)-1,3-thiazol-2-one?
3-(2-bromoprop-2-enyl)-1,3-thiazol-2-one has a molecular weight of 220.09 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoprop-2-enyl)-1,3-thiazol-2-one is sourced from PubChem (CID 115646883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).