4-[(E)-1-fluoronon-1-enyl]-2-thiophen-2-yl-1,3-thiazole

C16H20FNS2 — CID 177391455

IUPAC4-[(E)-1-fluoronon-1-enyl]-2-thiophen-2-yl-1,3-thiazole
SMILESCCCCCCC/C=C(/F)c1csc(-c2cccs2)n1
InChIInChI=1S/C16H20FNS2/c1-2-3-4-5-6-7-9-13(17)14-12-20-16(18-14)15-10-8-11-19-15/h8-12H,2-7H2,1H3/b13-9+
InChIKeySGKGYEZENVFFBE-UKTHLTGXSA-N
MW309.47 g/mol
LogP6.54
Rot. Bonds8

About 4-[(E)-1-fluoronon-1-enyl]-2-thiophen-2-yl-1,3-thiazole

4-[(E)-1-fluoronon-1-enyl]-2-thiophen-2-yl-1,3-thiazole (PubChem CID 177391455) has the molecular formula C16H20FNS2 and a molecular weight of 309.47 g/mol. Its IUPAC name is 4-[(E)-1-fluoronon-1-enyl]-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(E)-1-fluoronon-1-enyl]-2-thiophen-2-yl-1,3-thiazole
PubChem CID177391455
Molecular FormulaC16H20FNS2
Molecular Weight309.47 g/mol
Exact Mass309.10
IUPAC Name4-[(E)-1-fluoronon-1-enyl]-2-thiophen-2-yl-1,3-thiazole
SMILESCCCCCCC/C=C(/F)c1csc(-c2cccs2)n1
InChIInChI=1S/C16H20FNS2/c1-2-3-4-5-6-7-9-13(17)14-12-20-16(18-14)15-10-8-11-19-15/h8-12H,2-7H2,1H3/b13-9+
InChIKeySGKGYEZENVFFBE-UKTHLTGXSA-N
XLogP6.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.47
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Thienyl)-4-thiazolemethanamine
CID 2776321
4-{[2-(2-Thienyl)-1,3-thiazol-4-yl]methyl}thiomorpholine
CID 2813472
4-(5-Methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 2063929
5-Ethyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 10335742
[5-(2-Methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanamine
CID 7130823
2,4-Dithiophen-2-ylthiazole
CID 2546578
US9969726, Example 15
CID 130289102
(E)-2-(4-phenylthiazol-2-yl)-3-(thiophen-2-yl)acrylonitrile
CID 5719252
4-(4-Fluorophenyl)-2-methylthiazole
CID 731894
4-(3,4-Difluorophenyl)-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole
CID 2741011
4-(5-Ethylthiophen-2-yl)-1,3-thiazol-2-amine
CID 842105
Thiazole, 2-phenyl-4-(2-thienyl)-
CID 2795747

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-fluoronon-1-enyl]-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 4-[(E)-1-fluoronon-1-enyl]-2-thiophen-2-yl-1,3-thiazole (CID 177391455) is 4-[(E)-1-fluoronon-1-enyl]-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[(E)-1-fluoronon-1-enyl]-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 4-[(E)-1-fluoronon-1-enyl]-2-thiophen-2-yl-1,3-thiazole is CCCCCCC/C=C(/F)c1csc(-c2cccs2)n1.
What is the InChIKey of 4-[(E)-1-fluoronon-1-enyl]-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is SGKGYEZENVFFBE-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H20FNS2/c1-2-3-4-5-6-7-9-13(17)14-12-20-16(18-14)15-10-8-11-19-15/h8-12H,2-7H2,1H3/b13-9+.
What are the key properties of 4-[(E)-1-fluoronon-1-enyl]-2-thiophen-2-yl-1,3-thiazole?
4-[(E)-1-fluoronon-1-enyl]-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 309.47 g/mol, XLogP of 6.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-fluoronon-1-enyl]-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 177391455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).