N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

C14H13F3N2O2S3 — CID 7484977

IUPACN-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESO=C(CSc1cccc(C(F)(F)F)c1)NCCN1C(=O)CSC1=S
InChIInChI=1S/C14H13F3N2O2S3/c15-14(16,17)9-2-1-3-10(6-9)23-7-11(20)18-4-5-19-12(21)8-24-13(19)22/h1-3,6H,4-5,7-8H2,(H,18,20)
InChIKeySNDGSELGILQPBK-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.77
Rot. Bonds6

About N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 7484977) has the molecular formula C14H13F3N2O2S3 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID7484977
Molecular FormulaC14H13F3N2O2S3
Molecular Weight394.47 g/mol
Exact Mass394.01
IUPAC NameN-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESO=C(CSc1cccc(C(F)(F)F)c1)NCCN1C(=O)CSC1=S
InChIInChI=1S/C14H13F3N2O2S3/c15-14(16,17)9-2-1-3-10(6-9)23-7-11(20)18-4-5-19-12(21)8-24-13(19)22/h1-3,6H,4-5,7-8H2,(H,18,20)
InChIKeySNDGSELGILQPBK-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 7484977) is N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is O=C(CSc1cccc(C(F)(F)F)c1)NCCN1C(=O)CSC1=S.
What is the InChIKey of N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is SNDGSELGILQPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S3/c15-14(16,17)9-2-1-3-10(6-9)23-7-11(20)18-4-5-19-12(21)8-24-13(19)22/h1-3,6H,4-5,7-8H2,(H,18,20).
What are the key properties of N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 394.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 7484977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).