2-fluoro-2-methyl-1-(1,3-thiazolidin-3-yl)propan-1-one

C7H12FNOS — CID 126994641

IUPAC2-fluoro-2-methyl-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESCC(C)(F)C(=O)N1CCSC1
InChIInChI=1S/C7H12FNOS/c1-7(2,8)6(10)9-3-4-11-5-9/h3-5H2,1-2H3
InChIKeyJVVWUIFESKFREQ-UHFFFAOYSA-N
MW177.24 g/mol
LogP1.27
Rot. Bonds1

About 2-fluoro-2-methyl-1-(1,3-thiazolidin-3-yl)propan-1-one

2-fluoro-2-methyl-1-(1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 126994641) has the molecular formula C7H12FNOS and a molecular weight of 177.24 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1-(1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name2-fluoro-2-methyl-1-(1,3-thiazolidin-3-yl)propan-1-one
PubChem CID126994641
Molecular FormulaC7H12FNOS
Molecular Weight177.24 g/mol
Exact Mass177.06
IUPAC Name2-fluoro-2-methyl-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESCC(C)(F)C(=O)N1CCSC1
InChIInChI=1S/C7H12FNOS/c1-7(2,8)6(10)9-3-4-11-5-9/h3-5H2,1-2H3
InChIKeyJVVWUIFESKFREQ-UHFFFAOYSA-N
XLogP1.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyl-1-(2-thioxothiazolidin-3-yl)propan-1-one
CID 11769595
3-(Methylsulfanyl)-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 131204503
2-Thiazolidinethione, 3-(1-oxopropyl)-
CID 11457987
3-Ethyl-5-methyl-rhodanine
CID 12220064
3-(2-Methylpropyl)-2,4-thiazolidinedione
CID 20110321
2,2-Dimethyl-1-(thiazolidin-3-yl)propan-1-one
CID 70566640
2,2,3,3,3-Pentafluoro-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 88143575
1-[(2R)-4,4-difluoro-2-methylsulfanylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 130442917
1-(3-Fluoropyrrolidin-1-yl)-2-methylsulfanylethanone
CID 155738131
2-Methylsulfanyl-1-pyrrolidin-1-ylethanone
CID 52140702
3-(2-Methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 12220058
3,3,3-Trifluoro-1-(2-methylthiazolidin-3-yl)propan-1-one
CID 122331794

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-1-(1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of 2-fluoro-2-methyl-1-(1,3-thiazolidin-3-yl)propan-1-one (CID 126994641) is 2-fluoro-2-methyl-1-(1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for 2-fluoro-2-methyl-1-(1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for 2-fluoro-2-methyl-1-(1,3-thiazolidin-3-yl)propan-1-one is CC(C)(F)C(=O)N1CCSC1.
What is the InChIKey of 2-fluoro-2-methyl-1-(1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is JVVWUIFESKFREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNOS/c1-7(2,8)6(10)9-3-4-11-5-9/h3-5H2,1-2H3.
What are the key properties of 2-fluoro-2-methyl-1-(1,3-thiazolidin-3-yl)propan-1-one?
2-fluoro-2-methyl-1-(1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 177.24 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-1-(1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 126994641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).