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

C19H23NS — CID 144513130

IUPAC(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
InChIInChI=1S/C19H23NS/c1-7-10-15(5)17(11-8-2)19-20-18(16(6)21-19)13-12-14(4)9-3/h7-11,13H,1-2,6,12H2,3-5H3/b14-9-,15-10-,17-11+,18-13+
InChIKeyHNVKCIOCNIDKFQ-UPIAUTTDSA-N
MW297.47 g/mol
LogP4.39
Rot. Bonds6

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

(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 144513130) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is (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 Name(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 CID144513130
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC Name(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
InChIInChI=1S/C19H23NS/c1-7-10-15(5)17(11-8-2)19-20-18(16(6)21-19)13-12-14(4)9-3/h7-11,13H,1-2,6,12H2,3-5H3/b14-9-,15-10-,17-11+,18-13+
InChIKeyHNVKCIOCNIDKFQ-UPIAUTTDSA-N
XLogP4.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.39
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 (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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Launch Full Analysis

Related Compounds

2-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-4,7-dimethyl-5,6-dihydro-1,3-benzothiazole
CID 142358274
(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-(4,7-dimethyl-5,6-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylcyclohepta-1,4,6-trien-1-amine;ethane
CID 142394294
5-[(4E,5Z)-5-ethylidene-4-pentan-2-ylidene-1,3-thiazol-2-yl]cyclohepta-1,4,6-triene-1-carbonitrile
CID 142394298
ethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine
CID 142981534
5,5-Dimethyl-2-(4-methylcyclohexa-1,3-dien-1-yl)cyclohepta[d][1,3]thiazole
CID 143039092
2-[(2E,4Z)-2-but-1-en-2-yl-3-ethylhexa-2,4-dienyl]sulfanyl-5-ethenyl-7-methyl-3H-azepine;molecular hydrogen
CID 144092692
ethane;(4E)-2-methyl-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazole
CID 144106737
ethane;2,6,7-tris(ethenyl)-5-methyl-3-[(Z)-prop-1-enyl]-1,4-thiazepine
CID 144114888
2,6,7-tris(ethenyl)-5-methyl-3-[(Z)-prop-1-enyl]-1,4-thiazepine
CID 144114889

Frequently Asked Questions

What is the IUPAC name of (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 (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 144513130) is (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 (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 (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.
What is the InChIKey of (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 HNVKCIOCNIDKFQ-UPIAUTTDSA-N. The full InChI is InChI=1S/C19H23NS/c1-7-10-15(5)17(11-8-2)19-20-18(16(6)21-19)13-12-14(4)9-3/h7-11,13H,1-2,6,12H2,3-5H3/b14-9-,15-10-,17-11+,18-13+.
What are the key properties of (4E)-5-methylidene-2-[(3E,5Z)-5-methylocta-1,3,5,7-tetraen-4-yl]-4-[(Z)-3-methylpent-3-enylidene]-1,3-thiazole?
(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 297.47 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (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 144513130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).