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

C9H17NOS — CID 59738209

IUPAC3-methyl-4-pentyl-1,3-thiazolidin-2-one
SMILESCCCCCC1CSC(=O)N1C
InChIInChI=1S/C9H17NOS/c1-3-4-5-6-8-7-12-9(11)10(8)2/h8H,3-7H2,1-2H3
InChIKeyCZGVSPZZAPZDRO-UHFFFAOYSA-N
MW187.31 g/mol
LogP2.73
Rot. Bonds4

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

3-methyl-4-pentyl-1,3-thiazolidin-2-one (PubChem CID 59738209) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 3-methyl-4-pentyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-methyl-4-pentyl-1,3-thiazolidin-2-one
PubChem CID59738209
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name3-methyl-4-pentyl-1,3-thiazolidin-2-one
SMILESCCCCCC1CSC(=O)N1C
InChIInChI=1S/C9H17NOS/c1-3-4-5-6-8-7-12-9(11)10(8)2/h8H,3-7H2,1-2H3
InChIKeyCZGVSPZZAPZDRO-UHFFFAOYSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 52.73
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

4-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one
CID 84763029
1-methyl-4-nonylazetidin-2-one
CID 70542920
5-ethyl-3-methyl-4-pentyl-1,3-thiazolidin-2-one
CID 167289002
1-methyl-5-pentylpyrrolidine-2-thione
CID 14765438
3,4-didecyl-1,3-oxazolidin-2-one
CID 69088250
3,5-dimethyl-6-pentyl-6H-1,3,4-thiadiazin-2-one
CID 15783486
1,4-dimethyl-5-pentylpyrrolidin-2-one
CID 138496527
1-(1-methyl-5-pentylpyrrolidin-2-yl)ethanone
CID 143089491
2-decylaziridine-1-carboxamide
CID 175486597
1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione
CID 67314603
2-pentadecylcyclopropan-1-one
CID 70874004
1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-octatriacontylpyrrolidine-2,5-dione
CID 101132520

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-pentyl-1,3-thiazolidin-2-one?
The IUPAC name of 3-methyl-4-pentyl-1,3-thiazolidin-2-one (CID 59738209) is 3-methyl-4-pentyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-methyl-4-pentyl-1,3-thiazolidin-2-one?
The canonical SMILES for 3-methyl-4-pentyl-1,3-thiazolidin-2-one is CCCCCC1CSC(=O)N1C.
What is the InChIKey of 3-methyl-4-pentyl-1,3-thiazolidin-2-one?
The InChIKey is CZGVSPZZAPZDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-3-4-5-6-8-7-12-9(11)10(8)2/h8H,3-7H2,1-2H3.
What are the key properties of 3-methyl-4-pentyl-1,3-thiazolidin-2-one?
3-methyl-4-pentyl-1,3-thiazolidin-2-one has a molecular weight of 187.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-pentyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 59738209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).