2-(1-phenylhex-1-enyl)-1,3-thiazole

C15H17NS — CID 71123881

IUPAC2-(1-phenylhex-1-enyl)-1,3-thiazole
SMILESCCCCC=C(c1ccccc1)c1nccs1
InChIInChI=1S/C15H17NS/c1-2-3-5-10-14(15-16-11-12-17-15)13-8-6-4-7-9-13/h4,6-12H,2-3,5H2,1H3
InChIKeyCTZRFZXCDCCEBD-UHFFFAOYSA-N
MW243.38 g/mol
LogP4.76
Rot. Bonds5

About 2-(1-phenylhex-1-enyl)-1,3-thiazole

2-(1-phenylhex-1-enyl)-1,3-thiazole (PubChem CID 71123881) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 2-(1-phenylhex-1-enyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-phenylhex-1-enyl)-1,3-thiazole
PubChem CID71123881
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name2-(1-phenylhex-1-enyl)-1,3-thiazole
SMILESCCCCC=C(c1ccccc1)c1nccs1
InChIInChI=1S/C15H17NS/c1-2-3-5-10-14(15-16-11-12-17-15)13-8-6-4-7-9-13/h4,6-12H,2-3,5H2,1H3
InChIKeyCTZRFZXCDCCEBD-UHFFFAOYSA-N
XLogP4.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylhex-1-enyl)-1,3-thiazole?
The IUPAC name of 2-(1-phenylhex-1-enyl)-1,3-thiazole (CID 71123881) is 2-(1-phenylhex-1-enyl)-1,3-thiazole.
What is the SMILES notation for 2-(1-phenylhex-1-enyl)-1,3-thiazole?
The canonical SMILES for 2-(1-phenylhex-1-enyl)-1,3-thiazole is CCCCC=C(c1ccccc1)c1nccs1.
What is the InChIKey of 2-(1-phenylhex-1-enyl)-1,3-thiazole?
The InChIKey is CTZRFZXCDCCEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-2-3-5-10-14(15-16-11-12-17-15)13-8-6-4-7-9-13/h4,6-12H,2-3,5H2,1H3.
What are the key properties of 2-(1-phenylhex-1-enyl)-1,3-thiazole?
2-(1-phenylhex-1-enyl)-1,3-thiazole has a molecular weight of 243.38 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylhex-1-enyl)-1,3-thiazole is sourced from PubChem (CID 71123881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).