2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one

C8H13NOS — CID 130265533

IUPAC2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one
SMILESC=C1NC(C(=O)C(C)C)CS1
InChIInChI=1S/C8H13NOS/c1-5(2)8(10)7-4-11-6(3)9-7/h5,7,9H,3-4H2,1-2H3
InChIKeyVSRNRBBDNQRERA-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.39
Rot. Bonds2

About 2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one

2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one (PubChem CID 130265533) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one
PubChem CID130265533
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one
SMILESC=C1NC(C(=O)C(C)C)CS1
InChIInChI=1S/C8H13NOS/c1-5(2)8(10)7-4-11-6(3)9-7/h5,7,9H,3-4H2,1-2H3
InChIKeyVSRNRBBDNQRERA-UHFFFAOYSA-N
XLogP1.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-one
CID 129290042
(5S)-5-(2-methylpropanoyl)pyrrolidin-2-one
CID 59969678
2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one
CID 59038032
1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one
CID 163241810
(6R)-6-(2-methylpropanoyl)-1,3-diazinane-2,4-dione
CID 166510821
1-[5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazin-3-yl]-2-methylpropan-1-one;ethane
CID 163241818
1-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one
CID 163241797
2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one
CID 176639154
1-[4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one
CID 163241834
2-oxo-N-pent-4-yn-2-yl-1,3-thiazolidine-4-carboxamide
CID 115668999
2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-one
CID 90895243
2-[butan-2-yl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 60828880

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one (CID 130265533) is 2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one is C=C1NC(C(=O)C(C)C)CS1.
What is the InChIKey of 2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one?
The InChIKey is VSRNRBBDNQRERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-5(2)8(10)7-4-11-6(3)9-7/h5,7,9H,3-4H2,1-2H3.
What are the key properties of 2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one?
2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one has a molecular weight of 171.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one is sourced from PubChem (CID 130265533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).