2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-2,3-dihydro-1,3-thiazole

C11H15NS — CID 167071691

IUPAC2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-2,3-dihydro-1,3-thiazole
SMILESC=C(/C=C\C=C/CC)C1NC=CS1
InChIInChI=1S/C11H15NS/c1-3-4-5-6-7-10(2)11-12-8-9-13-11/h4-9,11-12H,2-3H2,1H3/b5-4-,7-6-
InChIKeyUOCDBPJJETVXRJ-RZSVFLSASA-N
MW193.31 g/mol
LogP3.20
Rot. Bonds4

About 2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-2,3-dihydro-1,3-thiazole

2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-2,3-dihydro-1,3-thiazole (PubChem CID 167071691) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-2,3-dihydro-1,3-thiazole
PubChem CID167071691
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-2,3-dihydro-1,3-thiazole
SMILESC=C(/C=C\C=C/CC)C1NC=CS1
InChIInChI=1S/C11H15NS/c1-3-4-5-6-7-10(2)11-12-8-9-13-11/h4-9,11-12H,2-3H2,1H3/b5-4-,7-6-
InChIKeyUOCDBPJJETVXRJ-RZSVFLSASA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
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 2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-2,3-dihydro-1,3-thiazole (CID 167071691) is 2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-2,3-dihydro-1,3-thiazole is C=C(/C=C\C=C/CC)C1NC=CS1.
What is the InChIKey of 2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-2,3-dihydro-1,3-thiazole?
The InChIKey is UOCDBPJJETVXRJ-RZSVFLSASA-N. The full InChI is InChI=1S/C11H15NS/c1-3-4-5-6-7-10(2)11-12-8-9-13-11/h4-9,11-12H,2-3H2,1H3/b5-4-,7-6-.
What are the key properties of 2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-2,3-dihydro-1,3-thiazole?
2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-2,3-dihydro-1,3-thiazole has a molecular weight of 193.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 167071691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).