3-methyl-1-sulfanylidene-2H-1,3-thiazole

C4H7NS2 — CID 154634140

IUPAC3-methyl-1-sulfanylidene-2H-1,3-thiazole
SMILESCN1C=CS(=S)C1
InChIInChI=1S/C4H7NS2/c1-5-2-3-7(6)4-5/h2-3H,4H2,1H3
InChIKeyHKHWSLYYXIXDJS-UHFFFAOYSA-N
MW133.24 g/mol
LogP0.44
Rot. Bonds

About 3-methyl-1-sulfanylidene-2H-1,3-thiazole

3-methyl-1-sulfanylidene-2H-1,3-thiazole (PubChem CID 154634140) has the molecular formula C4H7NS2 and a molecular weight of 133.24 g/mol. Its IUPAC name is 3-methyl-1-sulfanylidene-2H-1,3-thiazole.

Molecular Properties

Compound Name3-methyl-1-sulfanylidene-2H-1,3-thiazole
PubChem CID154634140
Molecular FormulaC4H7NS2
Molecular Weight133.24 g/mol
Exact Mass133.00
IUPAC Name3-methyl-1-sulfanylidene-2H-1,3-thiazole
SMILESCN1C=CS(=S)C1
InChIInChI=1S/C4H7NS2/c1-5-2-3-7(6)4-5/h2-3H,4H2,1H3
InChIKeyHKHWSLYYXIXDJS-UHFFFAOYSA-N
XLogP0.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.24
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-sulfanylidene-2H-1,3-thiazole 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 3-methyl-1-sulfanylidene-2H-1,3-thiazole?
The IUPAC name of 3-methyl-1-sulfanylidene-2H-1,3-thiazole (CID 154634140) is 3-methyl-1-sulfanylidene-2H-1,3-thiazole.
What is the SMILES notation for 3-methyl-1-sulfanylidene-2H-1,3-thiazole?
The canonical SMILES for 3-methyl-1-sulfanylidene-2H-1,3-thiazole is CN1C=CS(=S)C1.
What is the InChIKey of 3-methyl-1-sulfanylidene-2H-1,3-thiazole?
The InChIKey is HKHWSLYYXIXDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS2/c1-5-2-3-7(6)4-5/h2-3H,4H2,1H3.
What are the key properties of 3-methyl-1-sulfanylidene-2H-1,3-thiazole?
3-methyl-1-sulfanylidene-2H-1,3-thiazole has a molecular weight of 133.24 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-sulfanylidene-2H-1,3-thiazole is sourced from PubChem (CID 154634140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).