ethane;(4E)-5-methylidene-2-[(3E,5Z)-5-methylocta-1,3,5,7-tetraen-4-yl]-4-[(Z)-3-methylpent-3-enylidene]-1,3-thiazole

C23H35NS — CID 144513129

IUPACethane;(4E)-5-methylidene-2-[(3E,5Z)-5-methylocta-1,3,5,7-tetraen-4-yl]-4-[(Z)-3-methylpent-3-enylidene]-1,3-thiazole
SMILESC=C/C=C(C)\C(=C/C=C)c1n/c(=C/C/C(C)=C\C)c(=C)s1.CC.CC
InChIInChI=1S/C19H23NS.2C2H6/c1-7-10-15(5)17(11-8-2)19-20-18(16(6)21-19)13-12-14(4)9-3;2*1-2/h7-11,13H,1-2,6,12H2,3-5H3;2*1-2H3/b14-9-,15-10-,17-11+,18-13+;;
InChIKeyBSAMOWHNZKDCBZ-JFYHRRDQSA-N
MW357.61 g/mol
LogP6.44
Rot. Bonds6

About ethane;(4E)-5-methylidene-2-[(3E,5Z)-5-methylocta-1,3,5,7-tetraen-4-yl]-4-[(Z)-3-methylpent-3-enylidene]-1,3-thiazole

ethane;(4E)-5-methylidene-2-[(3E,5Z)-5-methylocta-1,3,5,7-tetraen-4-yl]-4-[(Z)-3-methylpent-3-enylidene]-1,3-thiazole (PubChem CID 144513129) has the molecular formula C23H35NS and a molecular weight of 357.61 g/mol. Its IUPAC name is ethane;(4E)-5-methylidene-2-[(3E,5Z)-5-methylocta-1,3,5,7-tetraen-4-yl]-4-[(Z)-3-methylpent-3-enylidene]-1,3-thiazole.

Molecular Properties

Compound Nameethane;(4E)-5-methylidene-2-[(3E,5Z)-5-methylocta-1,3,5,7-tetraen-4-yl]-4-[(Z)-3-methylpent-3-enylidene]-1,3-thiazole
PubChem CID144513129
Molecular FormulaC23H35NS
Molecular Weight357.61 g/mol
Exact Mass357.25
IUPAC Nameethane;(4E)-5-methylidene-2-[(3E,5Z)-5-methylocta-1,3,5,7-tetraen-4-yl]-4-[(Z)-3-methylpent-3-enylidene]-1,3-thiazole
SMILESC=C/C=C(C)\C(=C/C=C)c1n/c(=C/C/C(C)=C\C)c(=C)s1.CC.CC
InChIInChI=1S/C19H23NS.2C2H6/c1-7-10-15(5)17(11-8-2)19-20-18(16(6)21-19)13-12-14(4)9-3;2*1-2/h7-11,13H,1-2,6,12H2,3-5H3;2*1-2H3/b14-9-,15-10-,17-11+,18-13+;;
InChIKeyBSAMOWHNZKDCBZ-JFYHRRDQSA-N
XLogP6.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.61
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(4E)-5-methylidene-2-[(3E,5Z)-5-methylocta-1,3,5,7-tetraen-4-yl]-4-[(Z)-3-methylpent-3-enylidene]-1,3-thiazole with MolForge

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Related Compounds

2-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-4,7-dimethyl-5,6-dihydro-1,3-benzothiazole
CID 142358274
(3E,5Z)-N-[(1E)-1-[(2E)-4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-2-prop-2-enylidenethiophen-3-ylidene]prop-2-enyl]-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]octa-1,3,5,7-tetraen-4-amine
CID 134313631
(4E,5E)-2-[(3E,5E)-6-propan-2-ylsulfanylocta-1,3,5,7-tetraen-3-yl]-4,5-bis(prop-2-enylidene)-1,3-thiazole
CID 137390730
ethane;methyl (2E,3Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-prop-2-enylidenehexa-3,5-dienimidothioate
CID 142044074
4,7-dimethyl-2-[(3E,5Z)-8-methylnona-1,3,5-trien-4-yl]-5,6-dihydro-1,3-benzothiazole
CID 142358276
5,5-Dimethyl-2-(4-methylcyclohexa-1,3-dien-1-yl)cyclohepta[d][1,3]thiazole
CID 143039092
(Z)-but-2-ene;ethane;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine
CID 143718092
ethane;2,6,7-tris(ethenyl)-5-methyl-3-[(Z)-prop-1-enyl]-1,4-thiazepine
CID 144114888
(5E)-2-methyl-4-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazole
CID 145123007
(4E,5E)-2-cyclohexa-1,3-dien-1-yl-4,5-di(ethylidene)-1,3-thiazole
CID 163629756
(4E,5E)-5-(2-bromoethylidene)-2-[(E)-pent-2-en-3-yl]-4-propylidene-1,3-thiazole
CID 167073555
methyl (2E,3Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-prop-2-enylidenehexa-3,5-dienimidothioate
CID 142044075

Frequently Asked Questions

What is the IUPAC name of ethane;(4E)-5-methylidene-2-[(3E,5Z)-5-methylocta-1,3,5,7-tetraen-4-yl]-4-[(Z)-3-methylpent-3-enylidene]-1,3-thiazole?
The IUPAC name of ethane;(4E)-5-methylidene-2-[(3E,5Z)-5-methylocta-1,3,5,7-tetraen-4-yl]-4-[(Z)-3-methylpent-3-enylidene]-1,3-thiazole (CID 144513129) is ethane;(4E)-5-methylidene-2-[(3E,5Z)-5-methylocta-1,3,5,7-tetraen-4-yl]-4-[(Z)-3-methylpent-3-enylidene]-1,3-thiazole.
What is the SMILES notation for ethane;(4E)-5-methylidene-2-[(3E,5Z)-5-methylocta-1,3,5,7-tetraen-4-yl]-4-[(Z)-3-methylpent-3-enylidene]-1,3-thiazole?
The canonical SMILES for ethane;(4E)-5-methylidene-2-[(3E,5Z)-5-methylocta-1,3,5,7-tetraen-4-yl]-4-[(Z)-3-methylpent-3-enylidene]-1,3-thiazole is C=C/C=C(C)\C(=C/C=C)c1n/c(=C/C/C(C)=C\C)c(=C)s1.CC.CC.
What is the InChIKey of ethane;(4E)-5-methylidene-2-[(3E,5Z)-5-methylocta-1,3,5,7-tetraen-4-yl]-4-[(Z)-3-methylpent-3-enylidene]-1,3-thiazole?
The InChIKey is BSAMOWHNZKDCBZ-JFYHRRDQSA-N. The full InChI is InChI=1S/C19H23NS.2C2H6/c1-7-10-15(5)17(11-8-2)19-20-18(16(6)21-19)13-12-14(4)9-3;2*1-2/h7-11,13H,1-2,6,12H2,3-5H3;2*1-2H3/b14-9-,15-10-,17-11+,18-13+;;.
What are the key properties of ethane;(4E)-5-methylidene-2-[(3E,5Z)-5-methylocta-1,3,5,7-tetraen-4-yl]-4-[(Z)-3-methylpent-3-enylidene]-1,3-thiazole?
ethane;(4E)-5-methylidene-2-[(3E,5Z)-5-methylocta-1,3,5,7-tetraen-4-yl]-4-[(Z)-3-methylpent-3-enylidene]-1,3-thiazole has a molecular weight of 357.61 g/mol, XLogP of 6.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-5-methylidene-2-[(3E,5Z)-5-methylocta-1,3,5,7-tetraen-4-yl]-4-[(Z)-3-methylpent-3-enylidene]-1,3-thiazole is sourced from PubChem (CID 144513129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).