5-ethyl-3-methyl-4-pentyl-1,3-thiazolidin-2-one

C11H21NOS — CID 167289002

IUPAC5-ethyl-3-methyl-4-pentyl-1,3-thiazolidin-2-one
SMILESCCCCCC1C(CC)SC(=O)N1C
InChIInChI=1S/C11H21NOS/c1-4-6-7-8-9-10(5-2)14-11(13)12(9)3/h9-10H,4-8H2,1-3H3
InChIKeyWZRQJCKQYKIPCT-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.51
Rot. Bonds5

About 5-ethyl-3-methyl-4-pentyl-1,3-thiazolidin-2-one

5-ethyl-3-methyl-4-pentyl-1,3-thiazolidin-2-one (PubChem CID 167289002) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 5-ethyl-3-methyl-4-pentyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5-ethyl-3-methyl-4-pentyl-1,3-thiazolidin-2-one
PubChem CID167289002
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name5-ethyl-3-methyl-4-pentyl-1,3-thiazolidin-2-one
SMILESCCCCCC1C(CC)SC(=O)N1C
InChIInChI=1S/C11H21NOS/c1-4-6-7-8-9-10(5-2)14-11(13)12(9)3/h9-10H,4-8H2,1-3H3
InChIKeyWZRQJCKQYKIPCT-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-pentyl-1,3-thiazolidin-2-one
CID 59738209
1,4-dimethyl-5-pentylpyrrolidin-2-one
CID 138496527
3-methyl-4-pentyl-5-propyl-1,3-oxazolidin-2-one
CID 138501046
3,5-dimethyl-6-pentyl-6H-1,3,4-thiadiazin-2-one
CID 15783486
1-methyl-4-nonylazetidin-2-one
CID 70542920
1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione
CID 67314603
2-pentadecylcyclopropan-1-one
CID 70874004
(2R,3R)-1,3-dimethyl-2-pentyl-2,3-dihydroindole
CID 163690232
4-nonylpyrrolidin-2-one
CID 143116205
4-hexylpyrrolidin-2-one
CID 18921442
3-dodecyl-1-propylpyrrolidin-2-one
CID 10149503
3-decyl-1-methylpiperidin-2-one
CID 175348950

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-4-pentyl-1,3-thiazolidin-2-one?
The IUPAC name of 5-ethyl-3-methyl-4-pentyl-1,3-thiazolidin-2-one (CID 167289002) is 5-ethyl-3-methyl-4-pentyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 5-ethyl-3-methyl-4-pentyl-1,3-thiazolidin-2-one?
The canonical SMILES for 5-ethyl-3-methyl-4-pentyl-1,3-thiazolidin-2-one is CCCCCC1C(CC)SC(=O)N1C.
What is the InChIKey of 5-ethyl-3-methyl-4-pentyl-1,3-thiazolidin-2-one?
The InChIKey is WZRQJCKQYKIPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-4-6-7-8-9-10(5-2)14-11(13)12(9)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 5-ethyl-3-methyl-4-pentyl-1,3-thiazolidin-2-one?
5-ethyl-3-methyl-4-pentyl-1,3-thiazolidin-2-one has a molecular weight of 215.36 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-4-pentyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 167289002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).