(7Z)-7-[(Z)-but-2-enylidene]-2-methyl-8,9-dimethylidene-5,6-dihydro-4H-1,3-thiazonine

C14H19NS — CID 142096894

IUPAC(7Z)-7-[(Z)-but-2-enylidene]-2-methyl-8,9-dimethylidene-5,6-dihydro-4H-1,3-thiazonine
SMILESC=C1S/C(C)=N\CCC/C(=C/C=C\C)C1=C
InChIInChI=1S/C14H19NS/c1-5-6-8-14-9-7-10-15-13(4)16-12(3)11(14)2/h5-6,8H,2-3,7,9-10H2,1,4H3/b6-5-,14-8-,15-13-
InChIKeyBKTVCEVMGGJKKZ-NNKCAWPQSA-N
MW233.38 g/mol
LogP4.50
Rot. Bonds1

About (7Z)-7-[(Z)-but-2-enylidene]-2-methyl-8,9-dimethylidene-5,6-dihydro-4H-1,3-thiazonine

(7Z)-7-[(Z)-but-2-enylidene]-2-methyl-8,9-dimethylidene-5,6-dihydro-4H-1,3-thiazonine (PubChem CID 142096894) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is (7Z)-7-[(Z)-but-2-enylidene]-2-methyl-8,9-dimethylidene-5,6-dihydro-4H-1,3-thiazonine.

Molecular Properties

Compound Name(7Z)-7-[(Z)-but-2-enylidene]-2-methyl-8,9-dimethylidene-5,6-dihydro-4H-1,3-thiazonine
PubChem CID142096894
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name(7Z)-7-[(Z)-but-2-enylidene]-2-methyl-8,9-dimethylidene-5,6-dihydro-4H-1,3-thiazonine
SMILESC=C1S/C(C)=N\CCC/C(=C/C=C\C)C1=C
InChIInChI=1S/C14H19NS/c1-5-6-8-14-9-7-10-15-13(4)16-12(3)11(14)2/h5-6,8H,2-3,7,9-10H2,1,4H3/b6-5-,14-8-,15-13-
InChIKeyBKTVCEVMGGJKKZ-NNKCAWPQSA-N
XLogP4.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7Z)-7-[(Z)-but-2-enylidene]-2-methyl-8,9-dimethylidene-5,6-dihydro-4H-1,3-thiazonine with MolForge

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Related Compounds

(4Z,5E)-4-ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine
CID 89510178
4-Ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine
CID 123980966
N-[(5Z,7E)-5-ethenyl-3-methylidene-7-methylsulfanyldeca-5,7,9-trienyl]propan-2-imine
CID 167041382
[(2E)-2-ethylidenehepta-4,6-dienyl] N-ethylethanimidothioate
CID 143082622

Frequently Asked Questions

What is the IUPAC name of (7Z)-7-[(Z)-but-2-enylidene]-2-methyl-8,9-dimethylidene-5,6-dihydro-4H-1,3-thiazonine?
The IUPAC name of (7Z)-7-[(Z)-but-2-enylidene]-2-methyl-8,9-dimethylidene-5,6-dihydro-4H-1,3-thiazonine (CID 142096894) is (7Z)-7-[(Z)-but-2-enylidene]-2-methyl-8,9-dimethylidene-5,6-dihydro-4H-1,3-thiazonine.
What is the SMILES notation for (7Z)-7-[(Z)-but-2-enylidene]-2-methyl-8,9-dimethylidene-5,6-dihydro-4H-1,3-thiazonine?
The canonical SMILES for (7Z)-7-[(Z)-but-2-enylidene]-2-methyl-8,9-dimethylidene-5,6-dihydro-4H-1,3-thiazonine is C=C1S/C(C)=N\CCC/C(=C/C=C\C)C1=C.
What is the InChIKey of (7Z)-7-[(Z)-but-2-enylidene]-2-methyl-8,9-dimethylidene-5,6-dihydro-4H-1,3-thiazonine?
The InChIKey is BKTVCEVMGGJKKZ-NNKCAWPQSA-N. The full InChI is InChI=1S/C14H19NS/c1-5-6-8-14-9-7-10-15-13(4)16-12(3)11(14)2/h5-6,8H,2-3,7,9-10H2,1,4H3/b6-5-,14-8-,15-13-.
What are the key properties of (7Z)-7-[(Z)-but-2-enylidene]-2-methyl-8,9-dimethylidene-5,6-dihydro-4H-1,3-thiazonine?
(7Z)-7-[(Z)-but-2-enylidene]-2-methyl-8,9-dimethylidene-5,6-dihydro-4H-1,3-thiazonine has a molecular weight of 233.38 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-[(Z)-but-2-enylidene]-2-methyl-8,9-dimethylidene-5,6-dihydro-4H-1,3-thiazonine is sourced from PubChem (CID 142096894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).