3-[4-(dimethylamino)phenyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

C12H14N2OS2 — CID 2919611

IUPAC3-[4-(dimethylamino)phenyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC1SC(=S)N(c2ccc(N(C)C)cc2)C1=O
InChIInChI=1S/C12H14N2OS2/c1-8-11(15)14(12(16)17-8)10-6-4-9(5-7-10)13(2)3/h4-8H,1-3H3
InChIKeyZNJUPDPWCGISEZ-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.51
Rot. Bonds2

About 3-[4-(dimethylamino)phenyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

3-[4-(dimethylamino)phenyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 2919611) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID2919611
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name3-[4-(dimethylamino)phenyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC1SC(=S)N(c2ccc(N(C)C)cc2)C1=O
InChIInChI=1S/C12H14N2OS2/c1-8-11(15)14(12(16)17-8)10-6-4-9(5-7-10)13(2)3/h4-8H,1-3H3
InChIKeyZNJUPDPWCGISEZ-UHFFFAOYSA-N
XLogP2.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.51
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]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 2919611) is 3-[4-(dimethylamino)phenyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one is CC1SC(=S)N(c2ccc(N(C)C)cc2)C1=O.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is ZNJUPDPWCGISEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-8-11(15)14(12(16)17-8)10-6-4-9(5-7-10)13(2)3/h4-8H,1-3H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
3-[4-(dimethylamino)phenyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 266.39 g/mol, XLogP of 2.51, 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]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 2919611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).