3-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-one

C5H9NO2S — CID 141190228

IUPAC3-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-one
SMILESCC1CSC(=O)N1CO
InChIInChI=1S/C5H9NO2S/c1-4-2-9-5(8)6(4)3-7/h4,7H,2-3H2,1H3
InChIKeyHBXPEWNCWDNSRN-UHFFFAOYSA-N
MW147.20 g/mol
LogP0.49
Rot. Bonds1

About 3-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-one

3-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-one (PubChem CID 141190228) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is 3-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-one
PubChem CID141190228
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name3-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-one
SMILESCC1CSC(=O)N1CO
InChIInChI=1S/C5H9NO2S/c1-4-2-9-5(8)6(4)3-7/h4,7H,2-3H2,1H3
InChIKeyHBXPEWNCWDNSRN-UHFFFAOYSA-N
XLogP0.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Hydroxymethylthiazolidinone
CID 45087550
3,4-Dimethyl-1,3-thiazolidin-2-one
CID 57602820
4-Methyl-3-propan-2-yl-1,3-thiazolidin-2-one
CID 588886
4-Methyl-1,3-thiazolidine-3-carboxylic acid
CID 57260668
(4R)-3,4-dimethyl-1,3-thiazolidin-2-one
CID 57602823
4-Ethyl-3-methyl-1,3-thiazolidin-2-one
CID 57602831
3-Ethyl-4-methyl-1,3-thiazolidin-2-one
CID 57602850
(4S)-3,4-dimethyl-1,3-thiazolidin-2-one
CID 57602895
Methyl 4-methyl-1,3-thiazolidine-3-carboxylate
CID 58783481
2,2,4-Trimethyl-1,3-thiazolidine-3-carboxylic acid
CID 68816778
4-Methyl-1,3-thiazolidine-3-carbaldehyde
CID 89282689
3-[(2S)-1-hydroxypropan-2-yl]-1,3-thiazolidin-2-one
CID 140984584

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-one?
The IUPAC name of 3-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-one (CID 141190228) is 3-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-one?
The canonical SMILES for 3-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-one is CC1CSC(=O)N1CO.
What is the InChIKey of 3-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-one?
The InChIKey is HBXPEWNCWDNSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-4-2-9-5(8)6(4)3-7/h4,7H,2-3H2,1H3.
What are the key properties of 3-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-one?
3-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-one has a molecular weight of 147.20 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-4-methyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 141190228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).