5-propan-2-yl-2-(2,2,3-trimethylcyclopropyl)imino-1,3-thiazolidin-4-one

C12H20N2OS — CID 136595725

IUPAC5-propan-2-yl-2-(2,2,3-trimethylcyclopropyl)imino-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N\C2C(C)C2(C)C)NC1=O
InChIInChI=1S/C12H20N2OS/c1-6(2)8-10(15)14-11(16-8)13-9-7(3)12(9,4)5/h6-9H,1-5H3,(H,13,14,15)
InChIKeyCNBMXQDETMPDKV-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.27
Rot. Bonds2

About 5-propan-2-yl-2-(2,2,3-trimethylcyclopropyl)imino-1,3-thiazolidin-4-one

5-propan-2-yl-2-(2,2,3-trimethylcyclopropyl)imino-1,3-thiazolidin-4-one (PubChem CID 136595725) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 5-propan-2-yl-2-(2,2,3-trimethylcyclopropyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-propan-2-yl-2-(2,2,3-trimethylcyclopropyl)imino-1,3-thiazolidin-4-one
PubChem CID136595725
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name5-propan-2-yl-2-(2,2,3-trimethylcyclopropyl)imino-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N\C2C(C)C2(C)C)NC1=O
InChIInChI=1S/C12H20N2OS/c1-6(2)8-10(15)14-11(16-8)13-9-7(3)12(9,4)5/h6-9H,1-5H3,(H,13,14,15)
InChIKeyCNBMXQDETMPDKV-UHFFFAOYSA-N
XLogP2.27
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(2,2,3-trimethylcyclopropyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-propan-2-yl-2-(2,2,3-trimethylcyclopropyl)imino-1,3-thiazolidin-4-one (CID 136595725) is 5-propan-2-yl-2-(2,2,3-trimethylcyclopropyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-propan-2-yl-2-(2,2,3-trimethylcyclopropyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-propan-2-yl-2-(2,2,3-trimethylcyclopropyl)imino-1,3-thiazolidin-4-one is CC(C)C1S/C(=N\C2C(C)C2(C)C)NC1=O.
What is the InChIKey of 5-propan-2-yl-2-(2,2,3-trimethylcyclopropyl)imino-1,3-thiazolidin-4-one?
The InChIKey is CNBMXQDETMPDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-6(2)8-10(15)14-11(16-8)13-9-7(3)12(9,4)5/h6-9H,1-5H3,(H,13,14,15).
What are the key properties of 5-propan-2-yl-2-(2,2,3-trimethylcyclopropyl)imino-1,3-thiazolidin-4-one?
5-propan-2-yl-2-(2,2,3-trimethylcyclopropyl)imino-1,3-thiazolidin-4-one has a molecular weight of 240.37 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(2,2,3-trimethylcyclopropyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 136595725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).