3-[4-(dimethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one

C11H12N2OS2 — CID 1321754

IUPAC3-[4-(dimethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(N2C(=O)CSC2=S)cc1
InChIInChI=1S/C11H12N2OS2/c1-12(2)8-3-5-9(6-4-8)13-10(14)7-16-11(13)15/h3-6H,7H2,1-2H3
InChIKeyOAWQCQRGAPYJDD-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.12
Rot. Bonds2

About 3-[4-(dimethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one

3-[4-(dimethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 1321754) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID1321754
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name3-[4-(dimethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(N2C(=O)CSC2=S)cc1
InChIInChI=1S/C11H12N2OS2/c1-12(2)8-3-5-9(6-4-8)13-10(14)7-16-11(13)15/h3-6H,7H2,1-2H3
InChIKeyOAWQCQRGAPYJDD-UHFFFAOYSA-N
XLogP2.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 1321754) is 3-[4-(dimethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one is CN(C)c1ccc(N2C(=O)CSC2=S)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is OAWQCQRGAPYJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-12(2)8-3-5-9(6-4-8)13-10(14)7-16-11(13)15/h3-6H,7H2,1-2H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
3-[4-(dimethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 252.36 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 1321754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).