(4E)-4-[(2E,4Z)-2-tert-butylhexa-2,4-dienylidene]-5-methylidene-1,3-thiazole

C14H19NS — CID 142847482

IUPAC(4E)-4-[(2E,4Z)-2-tert-butylhexa-2,4-dienylidene]-5-methylidene-1,3-thiazole
SMILESC=c1scn/c1=C/C(=C\C=C/C)C(C)(C)C
InChIInChI=1S/C14H19NS/c1-6-7-8-12(14(3,4)5)9-13-11(2)16-10-15-13/h6-10H,2H2,1,3-5H3/b7-6-,12-8+,13-9+
InChIKeyUWMDWGTYMVVFLA-CYAJVYQESA-N
MW233.38 g/mol
LogP2.88
Rot. Bonds2

About (4E)-4-[(2E,4Z)-2-tert-butylhexa-2,4-dienylidene]-5-methylidene-1,3-thiazole

(4E)-4-[(2E,4Z)-2-tert-butylhexa-2,4-dienylidene]-5-methylidene-1,3-thiazole (PubChem CID 142847482) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is (4E)-4-[(2E,4Z)-2-tert-butylhexa-2,4-dienylidene]-5-methylidene-1,3-thiazole.

Molecular Properties

Compound Name(4E)-4-[(2E,4Z)-2-tert-butylhexa-2,4-dienylidene]-5-methylidene-1,3-thiazole
PubChem CID142847482
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name(4E)-4-[(2E,4Z)-2-tert-butylhexa-2,4-dienylidene]-5-methylidene-1,3-thiazole
SMILESC=c1scn/c1=C/C(=C\C=C/C)C(C)(C)C
InChIInChI=1S/C14H19NS/c1-6-7-8-12(14(3,4)5)9-13-11(2)16-10-15-13/h6-10H,2H2,1,3-5H3/b7-6-,12-8+,13-9+
InChIKeyUWMDWGTYMVVFLA-CYAJVYQESA-N
XLogP2.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4E)-4-[(2E,4Z)-2-tert-butylhexa-2,4-dienylidene]-5-methylidene-1,3-thiazole with MolForge

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Related Compounds

(5Z)-5-(1-fluoro-3-methyl-2-methylidenebutylidene)-4-methylidene-1,3-thiazole
CID 178009408
7-Ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole
CID 170755443
4-(2-Methylhex-4-en-3-ylidene)-5-propan-2-ylidene-1,3-thiazole
CID 91027427
methyl N-(3-methylocta-1,3,5-trien-2-yl)methanimidothioate
CID 123168665
4-Ethylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole
CID 124006924
(4E)-4-[(Z)-2-methylbut-2-enylidene]-5-methylidene-1,3-thiazole
CID 141864711
5,5-Dimethylcyclohepta[d][1,3]thiazole;ethane
CID 141904835
5,5-Dimethylcyclohepta[d][1,3]thiazole
CID 141904836
5,7,7-Trimethylcyclohepta[d][1,3]thiazole
CID 142240545
7,7-Dimethylcyclohepta[d][1,3]thiazole
CID 143871736
Ethane;7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole
CID 143877837
ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazole
CID 144598129

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(2E,4Z)-2-tert-butylhexa-2,4-dienylidene]-5-methylidene-1,3-thiazole?
The IUPAC name of (4E)-4-[(2E,4Z)-2-tert-butylhexa-2,4-dienylidene]-5-methylidene-1,3-thiazole (CID 142847482) is (4E)-4-[(2E,4Z)-2-tert-butylhexa-2,4-dienylidene]-5-methylidene-1,3-thiazole.
What is the SMILES notation for (4E)-4-[(2E,4Z)-2-tert-butylhexa-2,4-dienylidene]-5-methylidene-1,3-thiazole?
The canonical SMILES for (4E)-4-[(2E,4Z)-2-tert-butylhexa-2,4-dienylidene]-5-methylidene-1,3-thiazole is C=c1scn/c1=C/C(=C\C=C/C)C(C)(C)C.
What is the InChIKey of (4E)-4-[(2E,4Z)-2-tert-butylhexa-2,4-dienylidene]-5-methylidene-1,3-thiazole?
The InChIKey is UWMDWGTYMVVFLA-CYAJVYQESA-N. The full InChI is InChI=1S/C14H19NS/c1-6-7-8-12(14(3,4)5)9-13-11(2)16-10-15-13/h6-10H,2H2,1,3-5H3/b7-6-,12-8+,13-9+.
What are the key properties of (4E)-4-[(2E,4Z)-2-tert-butylhexa-2,4-dienylidene]-5-methylidene-1,3-thiazole?
(4E)-4-[(2E,4Z)-2-tert-butylhexa-2,4-dienylidene]-5-methylidene-1,3-thiazole has a molecular weight of 233.38 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(2E,4Z)-2-tert-butylhexa-2,4-dienylidene]-5-methylidene-1,3-thiazole is sourced from PubChem (CID 142847482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).