2-[4-[(E)-hex-4-enoxy]phenyl]-5-propyl-1,3-thiazole

C18H23NOS — CID 23432183

IUPAC2-[4-[(E)-hex-4-enoxy]phenyl]-5-propyl-1,3-thiazole
SMILESC/C=C/CCCOc1ccc(-c2ncc(CCC)s2)cc1
InChIInChI=1S/C18H23NOS/c1-3-5-6-7-13-20-16-11-9-15(10-12-16)18-19-14-17(21-18)8-4-2/h3,5,9-12,14H,4,6-8,13H2,1-2H3/b5-3+
InChIKeyODUFTBKNYDUMQC-HWKANZROSA-N
MW301.46 g/mol
LogP5.50
Rot. Bonds8

About 2-[4-[(E)-hex-4-enoxy]phenyl]-5-propyl-1,3-thiazole

2-[4-[(E)-hex-4-enoxy]phenyl]-5-propyl-1,3-thiazole (PubChem CID 23432183) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-[4-[(E)-hex-4-enoxy]phenyl]-5-propyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(E)-hex-4-enoxy]phenyl]-5-propyl-1,3-thiazole
PubChem CID23432183
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name2-[4-[(E)-hex-4-enoxy]phenyl]-5-propyl-1,3-thiazole
SMILESC/C=C/CCCOc1ccc(-c2ncc(CCC)s2)cc1
InChIInChI=1S/C18H23NOS/c1-3-5-6-7-13-20-16-11-9-15(10-12-16)18-19-14-17(21-18)8-4-2/h3,5,9-12,14H,4,6-8,13H2,1-2H3/b5-3+
InChIKeyODUFTBKNYDUMQC-HWKANZROSA-N
XLogP5.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.46
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(E)-pent-2-enoxy]phenyl]-5-propyl-1,3-thiazole
CID 23432042
3-[4-(5-ethyl-1,3-thiazol-2-yl)phenoxy]propan-1-ol
CID 157454552
[4-(5-propyl-1,3-thiazol-2-yl)phenyl] pent-2-enoate
CID 54450667
N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62495260
[4-(5-butyl-1,3-thiazol-2-yl)phenyl] (E)-hex-2-enoate
CID 23432344
[4-[4-(5-octyl-1,3-thiazol-2-yl)phenyl]phenyl] but-2-enoate
CID 54565236
[4-(5-octyl-1,3-thiazol-2-yl)phenyl] (E)-hex-2-enoate
CID 23432060
2,5-bis[4-[(E)-hept-2-enoxy]phenyl]-1,3-thiazole
CID 23432308
1-[(Z)-pent-3-enyl]-4-pentoxybenzene
CID 83932611
2-[2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82424267
5-butyl-2-phenyl-1,3-thiazole
CID 67548106
1-butoxy-4-[2-(4-pent-3-enylphenyl)ethynyl]benzene
CID 139767162

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-hex-4-enoxy]phenyl]-5-propyl-1,3-thiazole?
The IUPAC name of 2-[4-[(E)-hex-4-enoxy]phenyl]-5-propyl-1,3-thiazole (CID 23432183) is 2-[4-[(E)-hex-4-enoxy]phenyl]-5-propyl-1,3-thiazole.
What is the SMILES notation for 2-[4-[(E)-hex-4-enoxy]phenyl]-5-propyl-1,3-thiazole?
The canonical SMILES for 2-[4-[(E)-hex-4-enoxy]phenyl]-5-propyl-1,3-thiazole is C/C=C/CCCOc1ccc(-c2ncc(CCC)s2)cc1.
What is the InChIKey of 2-[4-[(E)-hex-4-enoxy]phenyl]-5-propyl-1,3-thiazole?
The InChIKey is ODUFTBKNYDUMQC-HWKANZROSA-N. The full InChI is InChI=1S/C18H23NOS/c1-3-5-6-7-13-20-16-11-9-15(10-12-16)18-19-14-17(21-18)8-4-2/h3,5,9-12,14H,4,6-8,13H2,1-2H3/b5-3+.
What are the key properties of 2-[4-[(E)-hex-4-enoxy]phenyl]-5-propyl-1,3-thiazole?
2-[4-[(E)-hex-4-enoxy]phenyl]-5-propyl-1,3-thiazole has a molecular weight of 301.46 g/mol, XLogP of 5.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-hex-4-enoxy]phenyl]-5-propyl-1,3-thiazole is sourced from PubChem (CID 23432183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).