3,4-dimethyl-2-[(3E,5Z)-8-methylnona-3,5,7-trien-4-yl]-2H-1,3-thiazole

C15H23NS — CID 146351729

IUPAC3,4-dimethyl-2-[(3E,5Z)-8-methylnona-3,5,7-trien-4-yl]-2H-1,3-thiazole
SMILESCC/C=C(\C=C/C=C(C)C)C1SC=C(C)N1C
InChIInChI=1S/C15H23NS/c1-6-8-14(10-7-9-12(2)3)15-16(5)13(4)11-17-15/h7-11,15H,6H2,1-5H3/b10-7-,14-8+
InChIKeyHIPSXVBNVSPFNY-GBJAUHPPSA-N
MW249.42 g/mol
LogP4.71
Rot. Bonds4

About 3,4-dimethyl-2-[(3E,5Z)-8-methylnona-3,5,7-trien-4-yl]-2H-1,3-thiazole

3,4-dimethyl-2-[(3E,5Z)-8-methylnona-3,5,7-trien-4-yl]-2H-1,3-thiazole (PubChem CID 146351729) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 3,4-dimethyl-2-[(3E,5Z)-8-methylnona-3,5,7-trien-4-yl]-2H-1,3-thiazole.

Molecular Properties

Compound Name3,4-dimethyl-2-[(3E,5Z)-8-methylnona-3,5,7-trien-4-yl]-2H-1,3-thiazole
PubChem CID146351729
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name3,4-dimethyl-2-[(3E,5Z)-8-methylnona-3,5,7-trien-4-yl]-2H-1,3-thiazole
SMILESCC/C=C(\C=C/C=C(C)C)C1SC=C(C)N1C
InChIInChI=1S/C15H23NS/c1-6-8-14(10-7-9-12(2)3)15-16(5)13(4)11-17-15/h7-11,15H,6H2,1-5H3/b10-7-,14-8+
InChIKeyHIPSXVBNVSPFNY-GBJAUHPPSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-[(3E,5Z)-8-methylnona-3,5,7-trien-4-yl]-2H-1,3-thiazole?
The IUPAC name of 3,4-dimethyl-2-[(3E,5Z)-8-methylnona-3,5,7-trien-4-yl]-2H-1,3-thiazole (CID 146351729) is 3,4-dimethyl-2-[(3E,5Z)-8-methylnona-3,5,7-trien-4-yl]-2H-1,3-thiazole.
What is the SMILES notation for 3,4-dimethyl-2-[(3E,5Z)-8-methylnona-3,5,7-trien-4-yl]-2H-1,3-thiazole?
The canonical SMILES for 3,4-dimethyl-2-[(3E,5Z)-8-methylnona-3,5,7-trien-4-yl]-2H-1,3-thiazole is CC/C=C(\C=C/C=C(C)C)C1SC=C(C)N1C.
What is the InChIKey of 3,4-dimethyl-2-[(3E,5Z)-8-methylnona-3,5,7-trien-4-yl]-2H-1,3-thiazole?
The InChIKey is HIPSXVBNVSPFNY-GBJAUHPPSA-N. The full InChI is InChI=1S/C15H23NS/c1-6-8-14(10-7-9-12(2)3)15-16(5)13(4)11-17-15/h7-11,15H,6H2,1-5H3/b10-7-,14-8+.
What are the key properties of 3,4-dimethyl-2-[(3E,5Z)-8-methylnona-3,5,7-trien-4-yl]-2H-1,3-thiazole?
3,4-dimethyl-2-[(3E,5Z)-8-methylnona-3,5,7-trien-4-yl]-2H-1,3-thiazole has a molecular weight of 249.42 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-[(3E,5Z)-8-methylnona-3,5,7-trien-4-yl]-2H-1,3-thiazole is sourced from PubChem (CID 146351729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).