2-[6-(5-hexyloxolan-2-yl)oxyhexyl]-1,3-thiazole;hydrochloride

C19H34ClNO2S — CID 173396802

IUPAC2-[6-(5-hexyloxolan-2-yl)oxyhexyl]-1,3-thiazole;hydrochloride
SMILESCCCCCCC1CCC(OCCCCCCc2nccs2)O1.Cl
InChIInChI=1S/C19H33NO2S.ClH/c1-2-3-4-7-10-17-12-13-19(22-17)21-15-9-6-5-8-11-18-20-14-16-23-18;/h14,16-17,19H,2-13,15H2,1H3;1H
InChIKeyOKWMGKYTSSPOJR-UHFFFAOYSA-N
MW376.01 g/mol
LogP6.16
Rot. Bonds13

About 2-[6-(5-hexyloxolan-2-yl)oxyhexyl]-1,3-thiazole;hydrochloride

2-[6-(5-hexyloxolan-2-yl)oxyhexyl]-1,3-thiazole;hydrochloride (PubChem CID 173396802) has the molecular formula C19H34ClNO2S and a molecular weight of 376.01 g/mol. Its IUPAC name is 2-[6-(5-hexyloxolan-2-yl)oxyhexyl]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-[6-(5-hexyloxolan-2-yl)oxyhexyl]-1,3-thiazole;hydrochloride
PubChem CID173396802
Molecular FormulaC19H34ClNO2S
Molecular Weight376.01 g/mol
Exact Mass375.20
IUPAC Name2-[6-(5-hexyloxolan-2-yl)oxyhexyl]-1,3-thiazole;hydrochloride
SMILESCCCCCCC1CCC(OCCCCCCc2nccs2)O1.Cl
InChIInChI=1S/C19H33NO2S.ClH/c1-2-3-4-7-10-17-12-13-19(22-17)21-15-9-6-5-8-11-18-20-14-16-23-18;/h14,16-17,19H,2-13,15H2,1H3;1H
InChIKeyOKWMGKYTSSPOJR-UHFFFAOYSA-N
XLogP6.16
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.01
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-dodecoxyoxolan-2-yl)-N,N-dimethylbutan-1-amine
CID 153365543
1-[6-(5-hexyloxolan-2-yl)oxyhexyl]-4-phenylpyridin-1-ium
CID 19835756
2-nona-3,6-dienoxy-5-pentyloxolane
CID 86006444
(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690
7-azabicyclo[2.2.1]hepta-1,3,5-triene;2-pentyl-1,3-thiazole
CID 67464970
(2S)-2-methyl-6-tetradecoxyoxan-3-ol
CID 144591243
3-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[7-(1,3-thiazol-2-yl)heptoxy]propoxy]-5-pentadecyl-1,2-oxazole
CID 86745259
(3-hexylthiophen-2-yl)-trimethylsilane
CID 11447834
heptoxycyclopropane
CID 54099544
2-decoxy-6-methyloxane
CID 160930984
4-(1,3-thiazol-2-yl)butyl formate
CID 87852462
(2R,6S)-2-decyl-4-ethoxy-6-methyl-3,6-dihydro-2H-pyran
CID 51355110

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-hexyloxolan-2-yl)oxyhexyl]-1,3-thiazole;hydrochloride?
The IUPAC name of 2-[6-(5-hexyloxolan-2-yl)oxyhexyl]-1,3-thiazole;hydrochloride (CID 173396802) is 2-[6-(5-hexyloxolan-2-yl)oxyhexyl]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-[6-(5-hexyloxolan-2-yl)oxyhexyl]-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-[6-(5-hexyloxolan-2-yl)oxyhexyl]-1,3-thiazole;hydrochloride is CCCCCCC1CCC(OCCCCCCc2nccs2)O1.Cl.
What is the InChIKey of 2-[6-(5-hexyloxolan-2-yl)oxyhexyl]-1,3-thiazole;hydrochloride?
The InChIKey is OKWMGKYTSSPOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2S.ClH/c1-2-3-4-7-10-17-12-13-19(22-17)21-15-9-6-5-8-11-18-20-14-16-23-18;/h14,16-17,19H,2-13,15H2,1H3;1H.
What are the key properties of 2-[6-(5-hexyloxolan-2-yl)oxyhexyl]-1,3-thiazole;hydrochloride?
2-[6-(5-hexyloxolan-2-yl)oxyhexyl]-1,3-thiazole;hydrochloride has a molecular weight of 376.01 g/mol, XLogP of 6.16, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-hexyloxolan-2-yl)oxyhexyl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 173396802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).