2-methyl-4-[(1E,3S,5Z)-2,3,6-trimethylocta-1,5-dienyl]-2,3-dihydro-1,3-thiazole

C15H25NS — CID 59084386

IUPAC2-methyl-4-[(1E,3S,5Z)-2,3,6-trimethylocta-1,5-dienyl]-2,3-dihydro-1,3-thiazole
SMILESCC/C(C)=C\C[C@H](C)/C(C)=C/C1=CSC(C)N1
InChIInChI=1S/C15H25NS/c1-6-11(2)7-8-12(3)13(4)9-15-10-17-14(5)16-15/h7,9-10,12,14,16H,6,8H2,1-5H3/b11-7-,13-9+/t12-,14?/m0/s1
InChIKeyVOTOMZQLDUVFSP-MVRUGATQSA-N
MW251.44 g/mol
LogP4.84
Rot. Bonds5

About 2-methyl-4-[(1E,3S,5Z)-2,3,6-trimethylocta-1,5-dienyl]-2,3-dihydro-1,3-thiazole

2-methyl-4-[(1E,3S,5Z)-2,3,6-trimethylocta-1,5-dienyl]-2,3-dihydro-1,3-thiazole (PubChem CID 59084386) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 2-methyl-4-[(1E,3S,5Z)-2,3,6-trimethylocta-1,5-dienyl]-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[(1E,3S,5Z)-2,3,6-trimethylocta-1,5-dienyl]-2,3-dihydro-1,3-thiazole
PubChem CID59084386
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name2-methyl-4-[(1E,3S,5Z)-2,3,6-trimethylocta-1,5-dienyl]-2,3-dihydro-1,3-thiazole
SMILESCC/C(C)=C\C[C@H](C)/C(C)=C/C1=CSC(C)N1
InChIInChI=1S/C15H25NS/c1-6-11(2)7-8-12(3)13(4)9-15-10-17-14(5)16-15/h7,9-10,12,14,16H,6,8H2,1-5H3/b11-7-,13-9+/t12-,14?/m0/s1
InChIKeyVOTOMZQLDUVFSP-MVRUGATQSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-4-[(1E,3S,5Z)-2,3,6-trimethylocta-1,5-dienyl]-2,3-dihydro-1,3-thiazole with MolForge

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Related Compounds

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(2S)-3-methylidene-2-(2-methylsulfanylethyl)-5-propyl-1,2-dihydropyrrole
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(4E)-4-[(Z)-3-methylhex-2-enylidene]-1,3-thiazolidine
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methyl-[(E)-4-methyl-5-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)pent-4-enylidene]-lambda3-iodane
CID 142019166
2-methyl-4-[(E)-2-methylbut-1-enyl]-2,3-dihydro-1,3-thiazole
CID 143124042
ethane;(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine
CID 143707859
(1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine
CID 142083730
(5Z,7Z)-2-methyl-7-(3-methylbutyl)-4-methylidene-2,3-dihydro-1,3-thiazocine
CID 143707860
N-[3-(2,3-dihydrothiophen-5-yl)prop-1-en-2-yl]-2,4-dimethylpent-1-en-3-amine
CID 145258815

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1E,3S,5Z)-2,3,6-trimethylocta-1,5-dienyl]-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2-methyl-4-[(1E,3S,5Z)-2,3,6-trimethylocta-1,5-dienyl]-2,3-dihydro-1,3-thiazole (CID 59084386) is 2-methyl-4-[(1E,3S,5Z)-2,3,6-trimethylocta-1,5-dienyl]-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[(1E,3S,5Z)-2,3,6-trimethylocta-1,5-dienyl]-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[(1E,3S,5Z)-2,3,6-trimethylocta-1,5-dienyl]-2,3-dihydro-1,3-thiazole is CC/C(C)=C\C[C@H](C)/C(C)=C/C1=CSC(C)N1.
What is the InChIKey of 2-methyl-4-[(1E,3S,5Z)-2,3,6-trimethylocta-1,5-dienyl]-2,3-dihydro-1,3-thiazole?
The InChIKey is VOTOMZQLDUVFSP-MVRUGATQSA-N. The full InChI is InChI=1S/C15H25NS/c1-6-11(2)7-8-12(3)13(4)9-15-10-17-14(5)16-15/h7,9-10,12,14,16H,6,8H2,1-5H3/b11-7-,13-9+/t12-,14?/m0/s1.
What are the key properties of 2-methyl-4-[(1E,3S,5Z)-2,3,6-trimethylocta-1,5-dienyl]-2,3-dihydro-1,3-thiazole?
2-methyl-4-[(1E,3S,5Z)-2,3,6-trimethylocta-1,5-dienyl]-2,3-dihydro-1,3-thiazole has a molecular weight of 251.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1E,3S,5Z)-2,3,6-trimethylocta-1,5-dienyl]-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 59084386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).