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

C12H10FNOS2 — CID 43226524

IUPAC1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
SMILESCc1csc(SCC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C12H10FNOS2/c1-8-6-16-12(14-8)17-7-11(15)9-3-2-4-10(13)5-9/h2-6H,7H2,1H3
InChIKeyODCOSXAEPXFXLM-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.57
Rot. Bonds4

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

1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone (PubChem CID 43226524) has the molecular formula C12H10FNOS2 and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
PubChem CID43226524
Molecular FormulaC12H10FNOS2
Molecular Weight267.35 g/mol
Exact Mass267.02
IUPAC Name1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
SMILESCc1csc(SCC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C12H10FNOS2/c1-8-6-16-12(14-8)17-7-11(15)9-3-2-4-10(13)5-9/h2-6H,7H2,1H3
InChIKeyODCOSXAEPXFXLM-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 43226523
1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 43414039
6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 17447988
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-one
CID 116692221
N-(2-chloro-4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532898
1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43226534
5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoic acid
CID 63293267
1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone
CID 43226528
1-(3-fluorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43226526
sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate
CID 84818244
1-(3-fluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 8676106
1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 8538478

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone (CID 43226524) is 1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone is Cc1csc(SCC(=O)c2cccc(F)c2)n1.
What is the InChIKey of 1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The InChIKey is ODCOSXAEPXFXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS2/c1-8-6-16-12(14-8)17-7-11(15)9-3-2-4-10(13)5-9/h2-6H,7H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone has a molecular weight of 267.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 43226524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).