(3,4-difluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone

C11H11F2NOS — CID 122331652

IUPAC(3,4-difluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
SMILESCC1SCCN1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H11F2NOS/c1-7-14(4-5-16-7)11(15)8-2-3-9(12)10(13)6-8/h2-3,6-7H,4-5H2,1H3
InChIKeyYNKADAKITDPIQI-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.50
Rot. Bonds1

About (3,4-difluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone

(3,4-difluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone (PubChem CID 122331652) has the molecular formula C11H11F2NOS and a molecular weight of 243.28 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
PubChem CID122331652
Molecular FormulaC11H11F2NOS
Molecular Weight243.28 g/mol
Exact Mass243.05
IUPAC Name(3,4-difluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
SMILESCC1SCCN1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H11F2NOS/c1-7-14(4-5-16-7)11(15)8-2-3-9(12)10(13)6-8/h2-3,6-7H,4-5H2,1H3
InChIKeyYNKADAKITDPIQI-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331515
(3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331531
(4-bromophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331900
(2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331527
[3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331719
(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 110292238
(2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone
CID 122331716
(2-methoxy-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331808
(2,4-dimethylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331516
(3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571214
(3,4-difluorophenyl)-(7-methyl-1,4-diazepan-1-yl)methanone
CID 82245250
(3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331820

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone (CID 122331652) is (3,4-difluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone is CC1SCCN1C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The InChIKey is YNKADAKITDPIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NOS/c1-7-14(4-5-16-7)11(15)8-2-3-9(12)10(13)6-8/h2-3,6-7H,4-5H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
(3,4-difluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone has a molecular weight of 243.28 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 122331652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).