(3-fluoro-5-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone

C10H6FNOS2 — CID 19427001

IUPAC(3-fluoro-5-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1cc(F)cc(S)c1)c1nccs1
InChIInChI=1S/C10H6FNOS2/c11-7-3-6(4-8(14)5-7)9(13)10-12-1-2-15-10/h1-5,14H
InChIKeyRKNKQXAYCLNIFZ-UHFFFAOYSA-N
MW239.30 g/mol
LogP2.80
Rot. Bonds2

About (3-fluoro-5-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone

(3-fluoro-5-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone (PubChem CID 19427001) has the molecular formula C10H6FNOS2 and a molecular weight of 239.30 g/mol. Its IUPAC name is (3-fluoro-5-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-5-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone
PubChem CID19427001
Molecular FormulaC10H6FNOS2
Molecular Weight239.30 g/mol
Exact Mass238.99
IUPAC Name(3-fluoro-5-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1cc(F)cc(S)c1)c1nccs1
InChIInChI=1S/C10H6FNOS2/c11-7-3-6(4-8(14)5-7)9(13)10-12-1-2-15-10/h1-5,14H
InChIKeyRKNKQXAYCLNIFZ-UHFFFAOYSA-N
XLogP2.80
TPSA29.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone?
The IUPAC name of (3-fluoro-5-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone (CID 19427001) is (3-fluoro-5-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for (3-fluoro-5-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for (3-fluoro-5-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone is O=C(c1cc(F)cc(S)c1)c1nccs1.
What is the InChIKey of (3-fluoro-5-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone?
The InChIKey is RKNKQXAYCLNIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNOS2/c11-7-3-6(4-8(14)5-7)9(13)10-12-1-2-15-10/h1-5,14H.
What are the key properties of (3-fluoro-5-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone?
(3-fluoro-5-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone has a molecular weight of 239.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-sulfanylphenyl)-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 19427001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).