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

C11H8FNOS2 — CID 19426995

IUPAC(3-fluoro-5-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone
SMILESCSc1cc(F)cc(C(=O)c2nccs2)c1
InChIInChI=1S/C11H8FNOS2/c1-15-9-5-7(4-8(12)6-9)10(14)11-13-2-3-16-11/h2-6H,1H3
InChIKeyXHVHULKUIRLIKV-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.24
Rot. Bonds3

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

(3-fluoro-5-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone (PubChem CID 19426995) has the molecular formula C11H8FNOS2 and a molecular weight of 253.32 g/mol. Its IUPAC name is (3-fluoro-5-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-5-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone
PubChem CID19426995
Molecular FormulaC11H8FNOS2
Molecular Weight253.32 g/mol
Exact Mass253.00
IUPAC Name(3-fluoro-5-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone
SMILESCSc1cc(F)cc(C(=O)c2nccs2)c1
InChIInChI=1S/C11H8FNOS2/c1-15-9-5-7(4-8(12)6-9)10(14)11-13-2-3-16-11/h2-6H,1H3
InChIKeyXHVHULKUIRLIKV-UHFFFAOYSA-N
XLogP3.24
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone?
The IUPAC name of (3-fluoro-5-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone (CID 19426995) is (3-fluoro-5-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for (3-fluoro-5-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for (3-fluoro-5-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone is CSc1cc(F)cc(C(=O)c2nccs2)c1.
What is the InChIKey of (3-fluoro-5-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone?
The InChIKey is XHVHULKUIRLIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNOS2/c1-15-9-5-7(4-8(12)6-9)10(14)11-13-2-3-16-11/h2-6H,1H3.
What are the key properties of (3-fluoro-5-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone?
(3-fluoro-5-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone has a molecular weight of 253.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 19426995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).