2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide

C12H18N2OS2 — CID 107033495

IUPAC2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide
SMILESC=CCN(CCC)C(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C12H18N2OS2/c1-4-6-14(7-5-2)11(15)8-10-9(3)13-12(16)17-10/h4H,1,5-8H2,2-3H3,(H,13,16)
InChIKeyMUELMMWMGPBNPJ-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.08
Rot. Bonds6

About 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide

2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide (PubChem CID 107033495) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide.

Molecular Properties

Compound Name2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide
PubChem CID107033495
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC Name2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide
SMILESC=CCN(CCC)C(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C12H18N2OS2/c1-4-6-14(7-5-2)11(15)8-10-9(3)13-12(16)17-10/h4H,1,5-8H2,2-3H3,(H,13,16)
InChIKeyMUELMMWMGPBNPJ-UHFFFAOYSA-N
XLogP3.08
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide 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-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide?
The IUPAC name of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide (CID 107033495) is 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide.
What is the SMILES notation for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide?
The canonical SMILES for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide is C=CCN(CCC)C(=O)Cc1sc(=S)[nH]c1C.
What is the InChIKey of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide?
The InChIKey is MUELMMWMGPBNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-4-6-14(7-5-2)11(15)8-10-9(3)13-12(16)17-10/h4H,1,5-8H2,2-3H3,(H,13,16).
What are the key properties of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide?
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide has a molecular weight of 270.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide is sourced from PubChem (CID 107033495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).