5-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]-2-methyl-1,3-thiazole

C11H15NS — CID 143346068

IUPAC5-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]-2-methyl-1,3-thiazole
SMILESC/C=C(\C=C/c1cnc(C)s1)CC
InChIInChI=1S/C11H15NS/c1-4-10(5-2)6-7-11-8-12-9(3)13-11/h4,6-8H,5H2,1-3H3/b7-6-,10-4-
InChIKeyNGACTYKLPDSYRF-JICONFDSSA-N
MW193.31 g/mol
LogP3.82
Rot. Bonds3

About 5-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]-2-methyl-1,3-thiazole

5-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]-2-methyl-1,3-thiazole (PubChem CID 143346068) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 5-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]-2-methyl-1,3-thiazole
PubChem CID143346068
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name5-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]-2-methyl-1,3-thiazole
SMILESC/C=C(\C=C/c1cnc(C)s1)CC
InChIInChI=1S/C11H15NS/c1-4-10(5-2)6-7-11-8-12-9(3)13-11/h4,6-8H,5H2,1-3H3/b7-6-,10-4-
InChIKeyNGACTYKLPDSYRF-JICONFDSSA-N
XLogP3.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.82
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 5-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]-2-methyl-1,3-thiazole (CID 143346068) is 5-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]-2-methyl-1,3-thiazole is C/C=C(\C=C/c1cnc(C)s1)CC.
What is the InChIKey of 5-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]-2-methyl-1,3-thiazole?
The InChIKey is NGACTYKLPDSYRF-JICONFDSSA-N. The full InChI is InChI=1S/C11H15NS/c1-4-10(5-2)6-7-11-8-12-9(3)13-11/h4,6-8H,5H2,1-3H3/b7-6-,10-4-.
What are the key properties of 5-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]-2-methyl-1,3-thiazole?
5-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]-2-methyl-1,3-thiazole has a molecular weight of 193.31 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 143346068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).