4-methyl-1,3-thiazolidin-2-one

C4H7NOS — CID 19362304

IUPAC4-methyl-1,3-thiazolidin-2-one
SMILESCC1CSC(=O)N1
InChIInChI=1S/C4H7NOS/c1-3-2-7-4(6)5-3/h3H,2H2,1H3,(H,5,6)
InChIKeyJUGKVRVJTSDEBU-UHFFFAOYSA-N
MW117.17 g/mol
LogP0.83
Rot. Bonds

About 4-methyl-1,3-thiazolidin-2-one

4-methyl-1,3-thiazolidin-2-one (PubChem CID 19362304) has the molecular formula C4H7NOS and a molecular weight of 117.17 g/mol. Its IUPAC name is 4-methyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name4-methyl-1,3-thiazolidin-2-one
PubChem CID19362304
Molecular FormulaC4H7NOS
Molecular Weight117.17 g/mol
Exact Mass117.02
IUPAC Name4-methyl-1,3-thiazolidin-2-one
SMILESCC1CSC(=O)N1
InChIInChI=1S/C4H7NOS/c1-3-2-7-4(6)5-3/h3H,2H2,1H3,(H,5,6)
InChIKeyJUGKVRVJTSDEBU-UHFFFAOYSA-N
XLogP0.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-Thiazolidinone
CID 97431
(4S)-4-methyl-1,3-thiazolidin-2-one
CID 18397191
5-Methylthiazolidinone
CID 55295882
(4S)-4-propan-2-yl-1,3-thiazolidin-2-one
CID 130699200
Carbamothioic acid, ethyl-, S-propyl ester
CID 181615
4-(Difluoromethyl)-1,3-thiazolidin-2-one
CID 146266777
(4S)-4-(iodomethyl)-1,3-thiazolidin-2-one
CID 134858137
4-(Sulfanylmethyl)-1,3-thiazolidin-2-one
CID 146168840
(4R)-4-(trifluoromethyl)-1,3-thiazolidin-2-one
CID 131089394
(S)-4-(Difluoromethyl)Thiazolidin-2-One
CID 177835785
S-butyl N-ethylcarbamothioate
CID 11651193
4,5-Dimethyl-1,3-thiazolidin-2-one
CID 13522003

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-thiazolidin-2-one?
The IUPAC name of 4-methyl-1,3-thiazolidin-2-one (CID 19362304) is 4-methyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 4-methyl-1,3-thiazolidin-2-one?
The canonical SMILES for 4-methyl-1,3-thiazolidin-2-one is CC1CSC(=O)N1.
What is the InChIKey of 4-methyl-1,3-thiazolidin-2-one?
The InChIKey is JUGKVRVJTSDEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS/c1-3-2-7-4(6)5-3/h3H,2H2,1H3,(H,5,6).
What are the key properties of 4-methyl-1,3-thiazolidin-2-one?
4-methyl-1,3-thiazolidin-2-one has a molecular weight of 117.17 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 19362304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).