1-(2-methyl-1,3-thiazolidin-3-yl)hexadecan-1-one

C20H39NOS — CID 141312710

IUPAC1-(2-methyl-1,3-thiazolidin-3-yl)hexadecan-1-one
SMILESCCCCCCCCCCCCCCCC(=O)N1CCSC1C
InChIInChI=1S/C20H39NOS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(22)21-17-18-23-19(21)2/h19H,3-18H2,1-2H3
InChIKeyAFSCTWLXKCIYRR-UHFFFAOYSA-N
MW341.61 g/mol
LogP6.39
Rot. Bonds14

About 1-(2-methyl-1,3-thiazolidin-3-yl)hexadecan-1-one

1-(2-methyl-1,3-thiazolidin-3-yl)hexadecan-1-one (PubChem CID 141312710) has the molecular formula C20H39NOS and a molecular weight of 341.61 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazolidin-3-yl)hexadecan-1-one.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazolidin-3-yl)hexadecan-1-one
PubChem CID141312710
Molecular FormulaC20H39NOS
Molecular Weight341.61 g/mol
Exact Mass341.28
IUPAC Name1-(2-methyl-1,3-thiazolidin-3-yl)hexadecan-1-one
SMILESCCCCCCCCCCCCCCCC(=O)N1CCSC1C
InChIInChI=1S/C20H39NOS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(22)21-17-18-23-19(21)2/h19H,3-18H2,1-2H3
InChIKeyAFSCTWLXKCIYRR-UHFFFAOYSA-N
XLogP6.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.61
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-Thiazolidinethione, 3-(1-oxooctyl)-
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ethyl N-butyl-N-undecanoylcarbamodithioate
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1-(2-Heptyl-1,3-thiazolidin-3-yl)ethanone
CID 170854510
1-Dodecyl-3-methyl-4-thia-1-azaspiro[4.5]decan-2-one
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N-butyl-N-methyl-12-sulfanyldodecanamide
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N-butyl-N-methyl-11-sulfanylundecanamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazolidin-3-yl)hexadecan-1-one?
The IUPAC name of 1-(2-methyl-1,3-thiazolidin-3-yl)hexadecan-1-one (CID 141312710) is 1-(2-methyl-1,3-thiazolidin-3-yl)hexadecan-1-one.
What is the SMILES notation for 1-(2-methyl-1,3-thiazolidin-3-yl)hexadecan-1-one?
The canonical SMILES for 1-(2-methyl-1,3-thiazolidin-3-yl)hexadecan-1-one is CCCCCCCCCCCCCCCC(=O)N1CCSC1C.
What is the InChIKey of 1-(2-methyl-1,3-thiazolidin-3-yl)hexadecan-1-one?
The InChIKey is AFSCTWLXKCIYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NOS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(22)21-17-18-23-19(21)2/h19H,3-18H2,1-2H3.
What are the key properties of 1-(2-methyl-1,3-thiazolidin-3-yl)hexadecan-1-one?
1-(2-methyl-1,3-thiazolidin-3-yl)hexadecan-1-one has a molecular weight of 341.61 g/mol, XLogP of 6.39, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazolidin-3-yl)hexadecan-1-one is sourced from PubChem (CID 141312710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).