5-ethenyl-4-[(3Z)-5-methyl-5-propylocta-1,3-dien-4-yl]-1,3-thiazol-2-amine

C17H26N2S — CID 170140043

IUPAC5-ethenyl-4-[(3Z)-5-methyl-5-propylocta-1,3-dien-4-yl]-1,3-thiazol-2-amine
SMILESC=C/C=C(\c1nc(N)sc1C=C)C(C)(CCC)CCC
InChIInChI=1S/C17H26N2S/c1-6-10-13(17(5,11-7-2)12-8-3)15-14(9-4)20-16(18)19-15/h6,9-10H,1,4,7-8,11-12H2,2-3,5H3,(H2,18,19)/b13-10+
InChIKeyIROMOZSLTQKHET-JLHYYAGUSA-N
MW290.48 g/mol
LogP5.54
Rot. Bonds8

About 5-ethenyl-4-[(3Z)-5-methyl-5-propylocta-1,3-dien-4-yl]-1,3-thiazol-2-amine

5-ethenyl-4-[(3Z)-5-methyl-5-propylocta-1,3-dien-4-yl]-1,3-thiazol-2-amine (PubChem CID 170140043) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 5-ethenyl-4-[(3Z)-5-methyl-5-propylocta-1,3-dien-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-ethenyl-4-[(3Z)-5-methyl-5-propylocta-1,3-dien-4-yl]-1,3-thiazol-2-amine
PubChem CID170140043
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name5-ethenyl-4-[(3Z)-5-methyl-5-propylocta-1,3-dien-4-yl]-1,3-thiazol-2-amine
SMILESC=C/C=C(\c1nc(N)sc1C=C)C(C)(CCC)CCC
InChIInChI=1S/C17H26N2S/c1-6-10-13(17(5,11-7-2)12-8-3)15-14(9-4)20-16(18)19-15/h6,9-10H,1,4,7-8,11-12H2,2-3,5H3,(H2,18,19)/b13-10+
InChIKeyIROMOZSLTQKHET-JLHYYAGUSA-N
XLogP5.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.48
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-[(3Z)-5-methyl-5-propylocta-1,3-dien-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-ethenyl-4-[(3Z)-5-methyl-5-propylocta-1,3-dien-4-yl]-1,3-thiazol-2-amine (CID 170140043) is 5-ethenyl-4-[(3Z)-5-methyl-5-propylocta-1,3-dien-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-ethenyl-4-[(3Z)-5-methyl-5-propylocta-1,3-dien-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-ethenyl-4-[(3Z)-5-methyl-5-propylocta-1,3-dien-4-yl]-1,3-thiazol-2-amine is C=C/C=C(\c1nc(N)sc1C=C)C(C)(CCC)CCC.
What is the InChIKey of 5-ethenyl-4-[(3Z)-5-methyl-5-propylocta-1,3-dien-4-yl]-1,3-thiazol-2-amine?
The InChIKey is IROMOZSLTQKHET-JLHYYAGUSA-N. The full InChI is InChI=1S/C17H26N2S/c1-6-10-13(17(5,11-7-2)12-8-3)15-14(9-4)20-16(18)19-15/h6,9-10H,1,4,7-8,11-12H2,2-3,5H3,(H2,18,19)/b13-10+.
What are the key properties of 5-ethenyl-4-[(3Z)-5-methyl-5-propylocta-1,3-dien-4-yl]-1,3-thiazol-2-amine?
5-ethenyl-4-[(3Z)-5-methyl-5-propylocta-1,3-dien-4-yl]-1,3-thiazol-2-amine has a molecular weight of 290.48 g/mol, XLogP of 5.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-[(3Z)-5-methyl-5-propylocta-1,3-dien-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 170140043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).