(2E)-6-(difluoromethylsulfanyl)-2-(thiadiazol-4-ylmethylidene)-3,4-dihydronaphthalen-1-one

C14H10F2N2OS2 — CID 75406987

IUPAC(2E)-6-(difluoromethylsulfanyl)-2-(thiadiazol-4-ylmethylidene)-3,4-dihydronaphthalen-1-one
SMILESO=C1/C(=C/c2csnn2)CCc2cc(SC(F)F)ccc21
InChIInChI=1S/C14H10F2N2OS2/c15-14(16)21-11-3-4-12-8(6-11)1-2-9(13(12)19)5-10-7-20-18-17-10/h3-7,14H,1-2H2/b9-5+
InChIKeyOXTPRZIBRAICTP-WEVVVXLNSA-N
MW324.38 g/mol
LogP4.07
Rot. Bonds3

About (2E)-6-(difluoromethylsulfanyl)-2-(thiadiazol-4-ylmethylidene)-3,4-dihydronaphthalen-1-one

(2E)-6-(difluoromethylsulfanyl)-2-(thiadiazol-4-ylmethylidene)-3,4-dihydronaphthalen-1-one (PubChem CID 75406987) has the molecular formula C14H10F2N2OS2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2E)-6-(difluoromethylsulfanyl)-2-(thiadiazol-4-ylmethylidene)-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-6-(difluoromethylsulfanyl)-2-(thiadiazol-4-ylmethylidene)-3,4-dihydronaphthalen-1-one
PubChem CID75406987
Molecular FormulaC14H10F2N2OS2
Molecular Weight324.38 g/mol
Exact Mass324.02
IUPAC Name(2E)-6-(difluoromethylsulfanyl)-2-(thiadiazol-4-ylmethylidene)-3,4-dihydronaphthalen-1-one
SMILESO=C1/C(=C/c2csnn2)CCc2cc(SC(F)F)ccc21
InChIInChI=1S/C14H10F2N2OS2/c15-14(16)21-11-3-4-12-8(6-11)1-2-9(13(12)19)5-10-7-20-18-17-10/h3-7,14H,1-2H2/b9-5+
InChIKeyOXTPRZIBRAICTP-WEVVVXLNSA-N
XLogP4.07
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E)-6-(difluoromethylsulfanyl)-2-(thiadiazol-4-ylmethylidene)-3,4-dihydronaphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E)-8-bromo-4-(thiadiazol-4-ylmethylidene)-2,3-dihydro-1-benzoxepin-5-one
CID 51083773
8-methyl-3-(thiadiazol-4-ylmethylidene)chromen-4-one
CID 47393792
(2E)-2-(pyridazin-3-ylmethylidene)-3,4-dihydronaphthalen-1-one
CID 10776192
(3Z)-8-bromo-3-(thiadiazol-4-ylmethylidene)chromen-4-one
CID 94198952
CID 11210966
CID 11210966
(2E)-2-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one
CID 155181366
6-methoxy-2-[(4-propan-2-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 2738104
2-[(2,3-difluorophenyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one
CID 72689051
methyl 6-[(2-methyl-1,3-thiazol-5-yl)methylidene]-5-oxo-7,8-dihydronaphthalene-2-carboxylate
CID 66722648
(2E)-2-[(3-chlorophenyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one
CID 47091844
(2E)-6-(2-imidazol-1-ylpropoxy)-2-(thiophen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
CID 18626508
(2E)-2-[(5-nitrothiophen-3-yl)methylidene]-3,4-dihydronaphthalen-1-one
CID 47286347

Frequently Asked Questions

What is the IUPAC name of (2E)-6-(difluoromethylsulfanyl)-2-(thiadiazol-4-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-6-(difluoromethylsulfanyl)-2-(thiadiazol-4-ylmethylidene)-3,4-dihydronaphthalen-1-one (CID 75406987) is (2E)-6-(difluoromethylsulfanyl)-2-(thiadiazol-4-ylmethylidene)-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-6-(difluoromethylsulfanyl)-2-(thiadiazol-4-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-6-(difluoromethylsulfanyl)-2-(thiadiazol-4-ylmethylidene)-3,4-dihydronaphthalen-1-one is O=C1/C(=C/c2csnn2)CCc2cc(SC(F)F)ccc21.
What is the InChIKey of (2E)-6-(difluoromethylsulfanyl)-2-(thiadiazol-4-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The InChIKey is OXTPRZIBRAICTP-WEVVVXLNSA-N. The full InChI is InChI=1S/C14H10F2N2OS2/c15-14(16)21-11-3-4-12-8(6-11)1-2-9(13(12)19)5-10-7-20-18-17-10/h3-7,14H,1-2H2/b9-5+.
What are the key properties of (2E)-6-(difluoromethylsulfanyl)-2-(thiadiazol-4-ylmethylidene)-3,4-dihydronaphthalen-1-one?
(2E)-6-(difluoromethylsulfanyl)-2-(thiadiazol-4-ylmethylidene)-3,4-dihydronaphthalen-1-one has a molecular weight of 324.38 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6-(difluoromethylsulfanyl)-2-(thiadiazol-4-ylmethylidene)-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 75406987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).