1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone

C9H6FNOS2 — CID 130594586

IUPAC1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)c1sccc1F
InChIInChI=1S/C9H6FNOS2/c10-7-1-2-13-9(7)8(12)3-6-4-11-5-14-6/h1-2,4-5H,3H2
InChIKeyGPVVMLYBBWOIHR-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.77
Rot. Bonds3

About 1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone

1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 130594586) has the molecular formula C9H6FNOS2 and a molecular weight of 227.29 g/mol. Its IUPAC name is 1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID130594586
Molecular FormulaC9H6FNOS2
Molecular Weight227.29 g/mol
Exact Mass226.99
IUPAC Name1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)c1sccc1F
InChIInChI=1S/C9H6FNOS2/c10-7-1-2-13-9(7)8(12)3-6-4-11-5-14-6/h1-2,4-5H,3H2
InChIKeyGPVVMLYBBWOIHR-UHFFFAOYSA-N
XLogP2.77
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone (CID 130594586) is 1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone is O=C(Cc1cncs1)c1sccc1F.
What is the InChIKey of 1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is GPVVMLYBBWOIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNOS2/c10-7-1-2-13-9(7)8(12)3-6-4-11-5-14-6/h1-2,4-5H,3H2.
What are the key properties of 1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone?
1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 227.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 130594586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).