4-methyl-5-methylidene-3-propan-2-yl-1,3-thiazolidine-2-thione

C8H13NS2 — CID 131861484

IUPAC4-methyl-5-methylidene-3-propan-2-yl-1,3-thiazolidine-2-thione
SMILESC=C1SC(=S)N(C(C)C)C1C
InChIInChI=1S/C8H13NS2/c1-5(2)9-6(3)7(4)11-8(9)10/h5-6H,4H2,1-3H3
InChIKeySWSACLNMQRIFIR-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.63
Rot. Bonds1

About 4-methyl-5-methylidene-3-propan-2-yl-1,3-thiazolidine-2-thione

4-methyl-5-methylidene-3-propan-2-yl-1,3-thiazolidine-2-thione (PubChem CID 131861484) has the molecular formula C8H13NS2 and a molecular weight of 187.33 g/mol. Its IUPAC name is 4-methyl-5-methylidene-3-propan-2-yl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name4-methyl-5-methylidene-3-propan-2-yl-1,3-thiazolidine-2-thione
PubChem CID131861484
Molecular FormulaC8H13NS2
Molecular Weight187.33 g/mol
Exact Mass187.05
IUPAC Name4-methyl-5-methylidene-3-propan-2-yl-1,3-thiazolidine-2-thione
SMILESC=C1SC(=S)N(C(C)C)C1C
InChIInChI=1S/C8H13NS2/c1-5(2)9-6(3)7(4)11-8(9)10/h5-6H,4H2,1-3H3
InChIKeySWSACLNMQRIFIR-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-5-methylidene-3-propan-2-yl-1,3-thiazolidine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-methylidene-3-propan-2-yl-1,3-thiazolidine-2-thione?
The IUPAC name of 4-methyl-5-methylidene-3-propan-2-yl-1,3-thiazolidine-2-thione (CID 131861484) is 4-methyl-5-methylidene-3-propan-2-yl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 4-methyl-5-methylidene-3-propan-2-yl-1,3-thiazolidine-2-thione?
The canonical SMILES for 4-methyl-5-methylidene-3-propan-2-yl-1,3-thiazolidine-2-thione is C=C1SC(=S)N(C(C)C)C1C.
What is the InChIKey of 4-methyl-5-methylidene-3-propan-2-yl-1,3-thiazolidine-2-thione?
The InChIKey is SWSACLNMQRIFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS2/c1-5(2)9-6(3)7(4)11-8(9)10/h5-6H,4H2,1-3H3.
What are the key properties of 4-methyl-5-methylidene-3-propan-2-yl-1,3-thiazolidine-2-thione?
4-methyl-5-methylidene-3-propan-2-yl-1,3-thiazolidine-2-thione has a molecular weight of 187.33 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-methylidene-3-propan-2-yl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 131861484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).