3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one

C10H18N2OS2 — CID 53375713

IUPAC3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN(CC)CCCN1C(=O)CSC1=S
InChIInChI=1S/C10H18N2OS2/c1-3-11(4-2)6-5-7-12-9(13)8-15-10(12)14/h3-8H2,1-2H3
InChIKeyKNAVDIBAAXNBRU-UHFFFAOYSA-N
MW246.40 g/mol
LogP1.58
Rot. Bonds6

About 3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one

3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 53375713) has the molecular formula C10H18N2OS2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID53375713
Molecular FormulaC10H18N2OS2
Molecular Weight246.40 g/mol
Exact Mass246.09
IUPAC Name3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN(CC)CCCN1C(=O)CSC1=S
InChIInChI=1S/C10H18N2OS2/c1-3-11(4-2)6-5-7-12-9(13)8-15-10(12)14/h3-8H2,1-2H3
InChIKeyKNAVDIBAAXNBRU-UHFFFAOYSA-N
XLogP1.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 53375713) is 3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one is CCN(CC)CCCN1C(=O)CSC1=S.
What is the InChIKey of 3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is KNAVDIBAAXNBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS2/c1-3-11(4-2)6-5-7-12-9(13)8-15-10(12)14/h3-8H2,1-2H3.
What are the key properties of 3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 246.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 53375713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).