2-fluoro-5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol

C20H28FNO2S — CID 67114313

IUPAC2-fluoro-5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol
SMILESCCCCCCOc1ccc(C(CCC(F)CO)c2nccs2)cc1
InChIInChI=1S/C20H28FNO2S/c1-2-3-4-5-13-24-18-9-6-16(7-10-18)19(11-8-17(21)15-23)20-22-12-14-25-20/h6-7,9-10,12,14,17,19,23H,2-5,8,11,13,15H2,1H3
InChIKeyNSNDHIJQDASSBX-UHFFFAOYSA-N
MW365.51 g/mol
LogP5.34
Rot. Bonds12

About 2-fluoro-5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol

2-fluoro-5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol (PubChem CID 67114313) has the molecular formula C20H28FNO2S and a molecular weight of 365.51 g/mol. Its IUPAC name is 2-fluoro-5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol.

Molecular Properties

Compound Name2-fluoro-5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol
PubChem CID67114313
Molecular FormulaC20H28FNO2S
Molecular Weight365.51 g/mol
Exact Mass365.18
IUPAC Name2-fluoro-5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol
SMILESCCCCCCOc1ccc(C(CCC(F)CO)c2nccs2)cc1
InChIInChI=1S/C20H28FNO2S/c1-2-3-4-5-13-24-18-9-6-16(7-10-18)19(11-8-17(21)15-23)20-22-12-14-25-20/h6-7,9-10,12,14,17,19,23H,2-5,8,11,13,15H2,1H3
InChIKeyNSNDHIJQDASSBX-UHFFFAOYSA-N
XLogP5.34
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.51
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-fluoro-5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol?
The IUPAC name of 2-fluoro-5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol (CID 67114313) is 2-fluoro-5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol.
What is the SMILES notation for 2-fluoro-5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol?
The canonical SMILES for 2-fluoro-5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol is CCCCCCOc1ccc(C(CCC(F)CO)c2nccs2)cc1.
What is the InChIKey of 2-fluoro-5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol?
The InChIKey is NSNDHIJQDASSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FNO2S/c1-2-3-4-5-13-24-18-9-6-16(7-10-18)19(11-8-17(21)15-23)20-22-12-14-25-20/h6-7,9-10,12,14,17,19,23H,2-5,8,11,13,15H2,1H3.
What are the key properties of 2-fluoro-5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol?
2-fluoro-5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol has a molecular weight of 365.51 g/mol, XLogP of 5.34, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol is sourced from PubChem (CID 67114313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).