3-(3-octadecoxypropyl)-2H-1,3-thiazole

C24H47NOS — CID 57309420

IUPAC3-(3-octadecoxypropyl)-2H-1,3-thiazole
SMILESCCCCCCCCCCCCCCCCCCOCCCN1C=CSC1
InChIInChI=1S/C24H47NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-22-18-19-25-20-23-27-24-25/h20,23H,2-19,21-22,24H2,1H3
InChIKeyDQGMWJJGIPYKNA-UHFFFAOYSA-N
MW397.71 g/mol
LogP8.13
Rot. Bonds21

About 3-(3-octadecoxypropyl)-2H-1,3-thiazole

3-(3-octadecoxypropyl)-2H-1,3-thiazole (PubChem CID 57309420) has the molecular formula C24H47NOS and a molecular weight of 397.71 g/mol. Its IUPAC name is 3-(3-octadecoxypropyl)-2H-1,3-thiazole.

Molecular Properties

Compound Name3-(3-octadecoxypropyl)-2H-1,3-thiazole
PubChem CID57309420
Molecular FormulaC24H47NOS
Molecular Weight397.71 g/mol
Exact Mass397.34
IUPAC Name3-(3-octadecoxypropyl)-2H-1,3-thiazole
SMILESCCCCCCCCCCCCCCCCCCOCCCN1C=CSC1
InChIInChI=1S/C24H47NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-22-18-19-25-20-23-27-24-25/h20,23H,2-19,21-22,24H2,1H3
InChIKeyDQGMWJJGIPYKNA-UHFFFAOYSA-N
XLogP8.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.71
LogP ≤ 58.13
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

3-[(2-heptadecyl-1,3-oxathiolan-4-yl)methyl]-2H-1,3-thiazole
CID 56979202
3-(4-icosoxybutyl)-2H-1,3-thiazole
CID 57027079
3-(4-docosoxybutyl)-2H-1,3-thiazole
CID 57055342
3-(4-octadecoxybutyl)-2H-1,3-thiazole
CID 57069523
3-(3-hexadecoxy-2-methoxypropyl)-2H-1,3-thiazole
CID 57075690
3-(4-hexoxybutyl)-2H-1,3-thiazole
CID 57082132
3-(4-octoxybutyl)-2H-1,3-thiazole
CID 57094541
3-(2-octadecoxyethyl)-2H-1,3-thiazole
CID 57105884
3-(1-hexadecoxypropan-2-yl)-2H-1,3-thiazole
CID 57134100
3-(6-octadecoxyhexyl)-2H-1,3-thiazole
CID 57149107
3-(4-dodecoxybutyl)-2H-1,3-thiazole
CID 57263493
3-[8-(3-octadecoxypropoxy)octyl]-2H-1,3-thiazole
CID 57263726

Frequently Asked Questions

What is the IUPAC name of 3-(3-octadecoxypropyl)-2H-1,3-thiazole?
The IUPAC name of 3-(3-octadecoxypropyl)-2H-1,3-thiazole (CID 57309420) is 3-(3-octadecoxypropyl)-2H-1,3-thiazole.
What is the SMILES notation for 3-(3-octadecoxypropyl)-2H-1,3-thiazole?
The canonical SMILES for 3-(3-octadecoxypropyl)-2H-1,3-thiazole is CCCCCCCCCCCCCCCCCCOCCCN1C=CSC1.
What is the InChIKey of 3-(3-octadecoxypropyl)-2H-1,3-thiazole?
The InChIKey is DQGMWJJGIPYKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-22-18-19-25-20-23-27-24-25/h20,23H,2-19,21-22,24H2,1H3.
What are the key properties of 3-(3-octadecoxypropyl)-2H-1,3-thiazole?
3-(3-octadecoxypropyl)-2H-1,3-thiazole has a molecular weight of 397.71 g/mol, XLogP of 8.13, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-octadecoxypropyl)-2H-1,3-thiazole is sourced from PubChem (CID 57309420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).