1-(2-bromo-1,3-thiazol-5-yl)-2-(2,6-difluorophenyl)ethanone

C11H6BrF2NOS — CID 161381380

IUPAC1-(2-bromo-1,3-thiazol-5-yl)-2-(2,6-difluorophenyl)ethanone
SMILESO=C(Cc1c(F)cccc1F)c1cnc(Br)s1
InChIInChI=1S/C11H6BrF2NOS/c12-11-15-5-10(17-11)9(16)4-6-7(13)2-1-3-8(6)14/h1-3,5H,4H2
InChIKeyVRTNQQPPRBDSPN-UHFFFAOYSA-N
MW318.14 g/mol
LogP3.61
Rot. Bonds3

About 1-(2-bromo-1,3-thiazol-5-yl)-2-(2,6-difluorophenyl)ethanone

1-(2-bromo-1,3-thiazol-5-yl)-2-(2,6-difluorophenyl)ethanone (PubChem CID 161381380) has the molecular formula C11H6BrF2NOS and a molecular weight of 318.14 g/mol. Its IUPAC name is 1-(2-bromo-1,3-thiazol-5-yl)-2-(2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-1,3-thiazol-5-yl)-2-(2,6-difluorophenyl)ethanone
PubChem CID161381380
Molecular FormulaC11H6BrF2NOS
Molecular Weight318.14 g/mol
Exact Mass316.93
IUPAC Name1-(2-bromo-1,3-thiazol-5-yl)-2-(2,6-difluorophenyl)ethanone
SMILESO=C(Cc1c(F)cccc1F)c1cnc(Br)s1
InChIInChI=1S/C11H6BrF2NOS/c12-11-15-5-10(17-11)9(16)4-6-7(13)2-1-3-8(6)14/h1-3,5H,4H2
InChIKeyVRTNQQPPRBDSPN-UHFFFAOYSA-N
XLogP3.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-1,3-thiazol-5-yl)-2-(2,6-difluorophenyl)ethanone?
The IUPAC name of 1-(2-bromo-1,3-thiazol-5-yl)-2-(2,6-difluorophenyl)ethanone (CID 161381380) is 1-(2-bromo-1,3-thiazol-5-yl)-2-(2,6-difluorophenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-1,3-thiazol-5-yl)-2-(2,6-difluorophenyl)ethanone?
The canonical SMILES for 1-(2-bromo-1,3-thiazol-5-yl)-2-(2,6-difluorophenyl)ethanone is O=C(Cc1c(F)cccc1F)c1cnc(Br)s1.
What is the InChIKey of 1-(2-bromo-1,3-thiazol-5-yl)-2-(2,6-difluorophenyl)ethanone?
The InChIKey is VRTNQQPPRBDSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF2NOS/c12-11-15-5-10(17-11)9(16)4-6-7(13)2-1-3-8(6)14/h1-3,5H,4H2.
What are the key properties of 1-(2-bromo-1,3-thiazol-5-yl)-2-(2,6-difluorophenyl)ethanone?
1-(2-bromo-1,3-thiazol-5-yl)-2-(2,6-difluorophenyl)ethanone has a molecular weight of 318.14 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1,3-thiazol-5-yl)-2-(2,6-difluorophenyl)ethanone is sourced from PubChem (CID 161381380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).