(3-methyl-1,3-thiazolidin-4-yl)methanethiol

C5H11NS2 — CID 20699546

IUPAC(3-methyl-1,3-thiazolidin-4-yl)methanethiol
SMILESCN1CSCC1CS
InChIInChI=1S/C5H11NS2/c1-6-4-8-3-5(6)2-7/h5,7H,2-4H2,1H3
InChIKeyCGCMKTKPMCGKSK-UHFFFAOYSA-N
MW149.28 g/mol
LogP0.92
Rot. Bonds1

About (3-methyl-1,3-thiazolidin-4-yl)methanethiol

(3-methyl-1,3-thiazolidin-4-yl)methanethiol (PubChem CID 20699546) has the molecular formula C5H11NS2 and a molecular weight of 149.28 g/mol. Its IUPAC name is (3-methyl-1,3-thiazolidin-4-yl)methanethiol.

Molecular Properties

Compound Name(3-methyl-1,3-thiazolidin-4-yl)methanethiol
PubChem CID20699546
Molecular FormulaC5H11NS2
Molecular Weight149.28 g/mol
Exact Mass149.03
IUPAC Name(3-methyl-1,3-thiazolidin-4-yl)methanethiol
SMILESCN1CSCC1CS
InChIInChI=1S/C5H11NS2/c1-6-4-8-3-5(6)2-7/h5,7H,2-4H2,1H3
InChIKeyCGCMKTKPMCGKSK-UHFFFAOYSA-N
XLogP0.92
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (3-methyl-1,3-thiazolidin-4-yl)methanethiol 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-Thiazolidinethione, 3-isopropyl-
CID 238966
1,1-Difluoro-3,4-dimethyl-1,3-thiazolidine
CID 144325285
3-Methyl-1,3-thiazolidine-2-thiol
CID 272715
(4S,5R)-3,4,5-trimethyl-1,3-thiazolidine-2-thione
CID 139054563
3,4-Dimethyl-1,3-thiazolidine-2-thione
CID 13725271
3-Propan-2-yl-1,3-thiazolidine
CID 15163848
3-Butan-2-yl-1,3-thiazolidine
CID 15163850
1-(1,3-Thiazolidin-3-yl)ethanethiol
CID 17821131
2-(2,2-Dimethyl-1,3-thiazolidin-3-yl)ethanethiol
CID 17911275
2,3,4-Trimethyl-1,3-thiazolidine
CID 18714262
2,3,4,5-Tetramethyl-1,3-thiazolidine
CID 18723724
1-[4-(Sulfanylmethyl)-1,3-thiazolidin-3-yl]propane-1-thione
CID 20648635

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,3-thiazolidin-4-yl)methanethiol?
The IUPAC name of (3-methyl-1,3-thiazolidin-4-yl)methanethiol (CID 20699546) is (3-methyl-1,3-thiazolidin-4-yl)methanethiol.
What is the SMILES notation for (3-methyl-1,3-thiazolidin-4-yl)methanethiol?
The canonical SMILES for (3-methyl-1,3-thiazolidin-4-yl)methanethiol is CN1CSCC1CS.
What is the InChIKey of (3-methyl-1,3-thiazolidin-4-yl)methanethiol?
The InChIKey is CGCMKTKPMCGKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS2/c1-6-4-8-3-5(6)2-7/h5,7H,2-4H2,1H3.
What are the key properties of (3-methyl-1,3-thiazolidin-4-yl)methanethiol?
(3-methyl-1,3-thiazolidin-4-yl)methanethiol has a molecular weight of 149.28 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,3-thiazolidin-4-yl)methanethiol is sourced from PubChem (CID 20699546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).