3-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazolidine-2-thione

C6H8N2S3 — CID 11356179

IUPAC3-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazolidine-2-thione
SMILESS=C1SCCN1C1=NCCS1
InChIInChI=1S/C6H8N2S3/c9-6-8(2-4-11-6)5-7-1-3-10-5/h1-4H2
InChIKeyLRLUVNZXIHJETG-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.42
Rot. Bonds

About 3-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazolidine-2-thione

3-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazolidine-2-thione (PubChem CID 11356179) has the molecular formula C6H8N2S3 and a molecular weight of 204.34 g/mol. Its IUPAC name is 3-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazolidine-2-thione
PubChem CID11356179
Molecular FormulaC6H8N2S3
Molecular Weight204.34 g/mol
Exact Mass203.98
IUPAC Name3-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazolidine-2-thione
SMILESS=C1SCCN1C1=NCCS1
InChIInChI=1S/C6H8N2S3/c9-6-8(2-4-11-6)5-7-1-3-10-5/h1-4H2
InChIKeyLRLUVNZXIHJETG-UHFFFAOYSA-N
XLogP1.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazolidine-2-thione?
The IUPAC name of 3-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazolidine-2-thione (CID 11356179) is 3-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazolidine-2-thione is S=C1SCCN1C1=NCCS1.
What is the InChIKey of 3-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazolidine-2-thione?
The InChIKey is LRLUVNZXIHJETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S3/c9-6-8(2-4-11-6)5-7-1-3-10-5/h1-4H2.
What are the key properties of 3-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazolidine-2-thione?
3-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazolidine-2-thione has a molecular weight of 204.34 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 11356179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).