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

C17H21NOS — CID 23432042

IUPAC2-[4-[(E)-pent-2-enoxy]phenyl]-5-propyl-1,3-thiazole
SMILESCC/C=C/COc1ccc(-c2ncc(CCC)s2)cc1
InChIInChI=1S/C17H21NOS/c1-3-5-6-12-19-15-10-8-14(9-11-15)17-18-13-16(20-17)7-4-2/h5-6,8-11,13H,3-4,7,12H2,1-2H3/b6-5+
InChIKeyGMENMIRNFRHHDP-AATRIKPKSA-N
MW287.43 g/mol
LogP5.11
Rot. Bonds7

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

2-[4-[(E)-pent-2-enoxy]phenyl]-5-propyl-1,3-thiazole (PubChem CID 23432042) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-[4-[(E)-pent-2-enoxy]phenyl]-5-propyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(E)-pent-2-enoxy]phenyl]-5-propyl-1,3-thiazole
PubChem CID23432042
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name2-[4-[(E)-pent-2-enoxy]phenyl]-5-propyl-1,3-thiazole
SMILESCC/C=C/COc1ccc(-c2ncc(CCC)s2)cc1
InChIInChI=1S/C17H21NOS/c1-3-5-6-12-19-15-10-8-14(9-11-15)17-18-13-16(20-17)7-4-2/h5-6,8-11,13H,3-4,7,12H2,1-2H3/b6-5+
InChIKeyGMENMIRNFRHHDP-AATRIKPKSA-N
XLogP5.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.43
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-pent-2-enoxy]phenyl]-5-propyl-1,3-thiazole?
The IUPAC name of 2-[4-[(E)-pent-2-enoxy]phenyl]-5-propyl-1,3-thiazole (CID 23432042) is 2-[4-[(E)-pent-2-enoxy]phenyl]-5-propyl-1,3-thiazole.
What is the SMILES notation for 2-[4-[(E)-pent-2-enoxy]phenyl]-5-propyl-1,3-thiazole?
The canonical SMILES for 2-[4-[(E)-pent-2-enoxy]phenyl]-5-propyl-1,3-thiazole is CC/C=C/COc1ccc(-c2ncc(CCC)s2)cc1.
What is the InChIKey of 2-[4-[(E)-pent-2-enoxy]phenyl]-5-propyl-1,3-thiazole?
The InChIKey is GMENMIRNFRHHDP-AATRIKPKSA-N. The full InChI is InChI=1S/C17H21NOS/c1-3-5-6-12-19-15-10-8-14(9-11-15)17-18-13-16(20-17)7-4-2/h5-6,8-11,13H,3-4,7,12H2,1-2H3/b6-5+.
What are the key properties of 2-[4-[(E)-pent-2-enoxy]phenyl]-5-propyl-1,3-thiazole?
2-[4-[(E)-pent-2-enoxy]phenyl]-5-propyl-1,3-thiazole has a molecular weight of 287.43 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-pent-2-enoxy]phenyl]-5-propyl-1,3-thiazole is sourced from PubChem (CID 23432042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).