3-(2-phenylpropylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one

C12H12N2OS2 — CID 4198374

IUPAC3-(2-phenylpropylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC(C=NN1C(=O)CSC1=S)c1ccccc1
InChIInChI=1S/C12H12N2OS2/c1-9(10-5-3-2-4-6-10)7-13-14-11(15)8-17-12(14)16/h2-7,9H,8H2,1H3
InChIKeyIOSNFKIBGVSVJG-UHFFFAOYSA-N
MW264.38 g/mol
LogP2.64
Rot. Bonds3

About 3-(2-phenylpropylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one

3-(2-phenylpropylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 4198374) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 3-(2-phenylpropylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-phenylpropylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID4198374
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name3-(2-phenylpropylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC(C=NN1C(=O)CSC1=S)c1ccccc1
InChIInChI=1S/C12H12N2OS2/c1-9(10-5-3-2-4-6-10)7-13-14-11(15)8-17-12(14)16/h2-7,9H,8H2,1H3
InChIKeyIOSNFKIBGVSVJG-UHFFFAOYSA-N
XLogP2.64
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylpropylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-phenylpropylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 4198374) is 3-(2-phenylpropylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-phenylpropylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-phenylpropylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one is CC(C=NN1C(=O)CSC1=S)c1ccccc1.
What is the InChIKey of 3-(2-phenylpropylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is IOSNFKIBGVSVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-9(10-5-3-2-4-6-10)7-13-14-11(15)8-17-12(14)16/h2-7,9H,8H2,1H3.
What are the key properties of 3-(2-phenylpropylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one?
3-(2-phenylpropylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 264.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylpropylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 4198374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).