2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N,N-dipropylacetamide

C13H22N2O2S2 — CID 18892135

IUPAC2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CC1SC(=S)N(CC)C1=O
InChIInChI=1S/C13H22N2O2S2/c1-4-7-14(8-5-2)11(16)9-10-12(17)15(6-3)13(18)19-10/h10H,4-9H2,1-3H3
InChIKeyDBONIRIDYPGEMR-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.27
Rot. Bonds7

About 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N,N-dipropylacetamide

2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N,N-dipropylacetamide (PubChem CID 18892135) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N,N-dipropylacetamide
PubChem CID18892135
Molecular FormulaC13H22N2O2S2
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC Name2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CC1SC(=S)N(CC)C1=O
InChIInChI=1S/C13H22N2O2S2/c1-4-7-14(8-5-2)11(16)9-10-12(17)15(6-3)13(18)19-10/h10H,4-9H2,1-3H3
InChIKeyDBONIRIDYPGEMR-UHFFFAOYSA-N
XLogP2.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.27
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 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N,N-dipropylacetamide?
The IUPAC name of 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N,N-dipropylacetamide (CID 18892135) is 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N,N-dipropylacetamide?
The canonical SMILES for 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N,N-dipropylacetamide is CCCN(CCC)C(=O)CC1SC(=S)N(CC)C1=O.
What is the InChIKey of 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N,N-dipropylacetamide?
The InChIKey is DBONIRIDYPGEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-4-7-14(8-5-2)11(16)9-10-12(17)15(6-3)13(18)19-10/h10H,4-9H2,1-3H3.
What are the key properties of 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N,N-dipropylacetamide?
2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N,N-dipropylacetamide has a molecular weight of 302.47 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N,N-dipropylacetamide is sourced from PubChem (CID 18892135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).