(4S)-4-(iodomethyl)-1,3-thiazolidin-2-one

C4H6INOS — CID 134858137

IUPAC(4S)-4-(iodomethyl)-1,3-thiazolidin-2-one
SMILESO=C1N[C@H](CI)CS1
InChIInChI=1S/C4H6INOS/c5-1-3-2-8-4(7)6-3/h3H,1-2H2,(H,6,7)/t3-/m1/s1
InChIKeySVYLGXRXNAPIHO-GSVOUGTGSA-N
MW243.07 g/mol
LogP1.25
Rot. Bonds1

About (4S)-4-(iodomethyl)-1,3-thiazolidin-2-one

(4S)-4-(iodomethyl)-1,3-thiazolidin-2-one (PubChem CID 134858137) has the molecular formula C4H6INOS and a molecular weight of 243.07 g/mol. Its IUPAC name is (4S)-4-(iodomethyl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(iodomethyl)-1,3-thiazolidin-2-one
PubChem CID134858137
Molecular FormulaC4H6INOS
Molecular Weight243.07 g/mol
Exact Mass242.92
IUPAC Name(4S)-4-(iodomethyl)-1,3-thiazolidin-2-one
SMILESO=C1N[C@H](CI)CS1
InChIInChI=1S/C4H6INOS/c5-1-3-2-8-4(7)6-3/h3H,1-2H2,(H,6,7)/t3-/m1/s1
InChIKeySVYLGXRXNAPIHO-GSVOUGTGSA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.07
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S)-4-(iodomethyl)-1,3-thiazolidin-2-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

(4S)-4-methyl-1,3-thiazolidin-2-one
CID 18397191
4-Methyl-1,3-thiazolidin-2-one
CID 19362304
5-Iodo-4-(trifluoromethyl)-1,3-thiazolidin-2-one
CID 164137319
4-(Sulfanylmethyl)-1,3-thiazolidin-2-one
CID 146168840
4,5-Dimethyl-1,3-thiazolidin-2-one
CID 13522003
(4R)-4-methyl-1,3-thiazolidin-2-one
CID 57909157
(4S)-4-ethyl-1,3-thiazolidin-2-one
CID 58779137
4-Ethyl-1,3-thiazolidin-2-one
CID 59921292
4-Iodo-1,3-thiazolidin-2-one
CID 67566477
5-Iodo-4-methyl-1,3-thiazolidin-2-one
CID 118934212
4-Methyl-1,3-thiazolidin-2-one;molecular hydrogen
CID 141818984
Ethane;4-methyl-1,3-thiazolidin-2-one
CID 141939019

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(iodomethyl)-1,3-thiazolidin-2-one?
The IUPAC name of (4S)-4-(iodomethyl)-1,3-thiazolidin-2-one (CID 134858137) is (4S)-4-(iodomethyl)-1,3-thiazolidin-2-one.
What is the SMILES notation for (4S)-4-(iodomethyl)-1,3-thiazolidin-2-one?
The canonical SMILES for (4S)-4-(iodomethyl)-1,3-thiazolidin-2-one is O=C1N[C@H](CI)CS1.
What is the InChIKey of (4S)-4-(iodomethyl)-1,3-thiazolidin-2-one?
The InChIKey is SVYLGXRXNAPIHO-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H6INOS/c5-1-3-2-8-4(7)6-3/h3H,1-2H2,(H,6,7)/t3-/m1/s1.
What are the key properties of (4S)-4-(iodomethyl)-1,3-thiazolidin-2-one?
(4S)-4-(iodomethyl)-1,3-thiazolidin-2-one has a molecular weight of 243.07 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(iodomethyl)-1,3-thiazolidin-2-one is sourced from PubChem (CID 134858137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).