1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone

C12H10FNOS2 — CID 66053484

IUPAC1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(CSc2ccccc2F)n1
InChIInChI=1S/C12H10FNOS2/c1-8(15)10-6-17-12(14-10)7-16-11-5-3-2-4-9(11)13/h2-6H,7H2,1H3
InChIKeyNBWDCCNHPCPOSL-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.78
Rot. Bonds4

About 1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone

1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 66053484) has the molecular formula C12H10FNOS2 and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone
PubChem CID66053484
Molecular FormulaC12H10FNOS2
Molecular Weight267.35 g/mol
Exact Mass267.02
IUPAC Name1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(CSc2ccccc2F)n1
InChIInChI=1S/C12H10FNOS2/c1-8(15)10-6-17-12(14-10)7-16-11-5-3-2-4-9(11)13/h2-6H,7H2,1H3
InChIKeyNBWDCCNHPCPOSL-UHFFFAOYSA-N
XLogP3.78
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone (CID 66053484) is 1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(CSc2ccccc2F)n1.
What is the InChIKey of 1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is NBWDCCNHPCPOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS2/c1-8(15)10-6-17-12(14-10)7-16-11-5-3-2-4-9(11)13/h2-6H,7H2,1H3.
What are the key properties of 1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone?
1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 267.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 66053484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).