2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one

C7H11NOS — CID 145121125

IUPAC2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one
SMILESC=C1SCC(=O)N1C(C)C
InChIInChI=1S/C7H11NOS/c1-5(2)8-6(3)10-4-7(8)9/h5H,3-4H2,1-2H3
InChIKeyLWXDDKCWFBKAIM-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.44
Rot. Bonds1

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

2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 145121125) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID145121125
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one
SMILESC=C1SCC(=O)N1C(C)C
InChIInChI=1S/C7H11NOS/c1-5(2)8-6(3)10-4-7(8)9/h5H,3-4H2,1-2H3
InChIKeyLWXDDKCWFBKAIM-UHFFFAOYSA-N
XLogP1.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-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

5-methyl-4-propan-2-yl-1,4-thiazin-3-one
CID 135004329
3-[(3S)-2,4-dimethylpent-1-en-3-yl]-1,3-thiazolidine-2,4-dione
CID 11658566
3-(1-aminopropan-2-yl)-1,3-thiazolidine-2,4-dione;hydrochloride
CID 86262726
2-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide
CID 130650920
methyl (2S,3S)-2-amino-3-(2,4-dioxo-1,3-thiazolidin-3-yl)butanoate
CID 99737774
1,3-di(propan-2-yl)-1,3-diazinane-2,4,6-trione;propan-2-amine
CID 161254467
7-bromo-4-propan-2-yl-1,4-benzothiazin-3-one
CID 84615707
deuterium monohydride;2-methylidene-3-propan-2-ylimidazolidin-4-one
CID 159139539
4-(1-aminopropan-2-yl)-5,6-dimethyl-1,4-thiazin-3-one
CID 82506166
5-methylidene-1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione
CID 10608523
3-[(Z)-but-2-enyl]-2-methylidene-1,3-thiazolidin-4-one
CID 143676783
4-(1-aminopropan-2-yl)-6-ethyl-5-methyl-1,4-thiazin-3-one
CID 82508975

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one (CID 145121125) is 2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one is C=C1SCC(=O)N1C(C)C.
What is the InChIKey of 2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is LWXDDKCWFBKAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-5(2)8-6(3)10-4-7(8)9/h5H,3-4H2,1-2H3.
What are the key properties of 2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one?
2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 157.24 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 145121125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).