(2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone

C11H12FNOS — CID 122331527

IUPAC(2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
SMILESCC1SCCN1C(=O)c1ccccc1F
InChIInChI=1S/C11H12FNOS/c1-8-13(6-7-15-8)11(14)9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3
InChIKeyXCVYSENYSYGDPX-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.36
Rot. Bonds1

About (2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone

(2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone (PubChem CID 122331527) has the molecular formula C11H12FNOS and a molecular weight of 225.29 g/mol. Its IUPAC name is (2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
PubChem CID122331527
Molecular FormulaC11H12FNOS
Molecular Weight225.29 g/mol
Exact Mass225.06
IUPAC Name(2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
SMILESCC1SCCN1C(=O)c1ccccc1F
InChIInChI=1S/C11H12FNOS/c1-8-13(6-7-15-8)11(14)9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3
InChIKeyXCVYSENYSYGDPX-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331820
(2-methyl-1,3-thiazolidin-3-yl)-(2-phenoxyphenyl)methanone
CID 122331672
(3,4-difluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331652
[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone
CID 42781114
(2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024047
(2,4-dimethylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331516
(4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331515
(2,3-dimethylthiomorpholin-4-yl)-(2-hydroxyphenyl)methanone
CID 115634458
(2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone
CID 122331716
(4-bromophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331900
(2-fluorophenyl)-(2-methyl-1,4-diazepan-1-yl)methanone
CID 82243404
(2,3-dimethylthiomorpholin-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 113238099

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone (CID 122331527) is (2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone is CC1SCCN1C(=O)c1ccccc1F.
What is the InChIKey of (2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The InChIKey is XCVYSENYSYGDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNOS/c1-8-13(6-7-15-8)11(14)9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3.
What are the key properties of (2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
(2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone has a molecular weight of 225.29 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 122331527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).