2-methylpropane;5-sulfanylidene-1,3-thiazolidin-2-one

C7H13NOS2 — CID 157441103

IUPAC2-methylpropane;5-sulfanylidene-1,3-thiazolidin-2-one
SMILESCC(C)C.O=C1NCC(=S)S1
InChIInChI=1S/C4H10.C3H3NOS2/c1-4(2)3;5-3-4-1-2(6)7-3/h4H,1-3H3;1H2,(H,4,5)
InChIKeyBRRJTELMYFWZTK-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.43
Rot. Bonds

About 2-methylpropane;5-sulfanylidene-1,3-thiazolidin-2-one

2-methylpropane;5-sulfanylidene-1,3-thiazolidin-2-one (PubChem CID 157441103) has the molecular formula C7H13NOS2 and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-methylpropane;5-sulfanylidene-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name2-methylpropane;5-sulfanylidene-1,3-thiazolidin-2-one
PubChem CID157441103
Molecular FormulaC7H13NOS2
Molecular Weight191.32 g/mol
Exact Mass191.04
IUPAC Name2-methylpropane;5-sulfanylidene-1,3-thiazolidin-2-one
SMILESCC(C)C.O=C1NCC(=S)S1
InChIInChI=1S/C4H10.C3H3NOS2/c1-4(2)3;5-3-4-1-2(6)7-3/h4H,1-3H3;1H2,(H,4,5)
InChIKeyBRRJTELMYFWZTK-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methylpropane;5-sulfanylidene-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

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;5-sulfanylidene-1,3-thiazolidin-2-one?
The IUPAC name of 2-methylpropane;5-sulfanylidene-1,3-thiazolidin-2-one (CID 157441103) is 2-methylpropane;5-sulfanylidene-1,3-thiazolidin-2-one.
What is the SMILES notation for 2-methylpropane;5-sulfanylidene-1,3-thiazolidin-2-one?
The canonical SMILES for 2-methylpropane;5-sulfanylidene-1,3-thiazolidin-2-one is CC(C)C.O=C1NCC(=S)S1.
What is the InChIKey of 2-methylpropane;5-sulfanylidene-1,3-thiazolidin-2-one?
The InChIKey is BRRJTELMYFWZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H3NOS2/c1-4(2)3;5-3-4-1-2(6)7-3/h4H,1-3H3;1H2,(H,4,5).
What are the key properties of 2-methylpropane;5-sulfanylidene-1,3-thiazolidin-2-one?
2-methylpropane;5-sulfanylidene-1,3-thiazolidin-2-one has a molecular weight of 191.32 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;5-sulfanylidene-1,3-thiazolidin-2-one is sourced from PubChem (CID 157441103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).