(5S)-2-cyclopentylimino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one

C12H20N2OS — CID 143468482

IUPAC(5S)-2-cyclopentylimino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)[C@]1(C)S/C(=N\C2CCCC2)NC1=O
InChIInChI=1S/C12H20N2OS/c1-8(2)12(3)10(15)14-11(16-12)13-9-6-4-5-7-9/h8-9H,4-7H2,1-3H3,(H,13,14,15)/t12-/m0/s1
InChIKeyRDURRWKPYJVNFX-LBPRGKRZSA-N
MW240.37 g/mol
LogP2.56
Rot. Bonds2

About (5S)-2-cyclopentylimino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one

(5S)-2-cyclopentylimino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 143468482) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is (5S)-2-cyclopentylimino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5S)-2-cyclopentylimino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID143468482
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name(5S)-2-cyclopentylimino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)[C@]1(C)S/C(=N\C2CCCC2)NC1=O
InChIInChI=1S/C12H20N2OS/c1-8(2)12(3)10(15)14-11(16-12)13-9-6-4-5-7-9/h8-9H,4-7H2,1-3H3,(H,13,14,15)/t12-/m0/s1
InChIKeyRDURRWKPYJVNFX-LBPRGKRZSA-N
XLogP2.56
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 ≤ 52.56
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 (5S)-2-cyclopentylimino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of (5S)-2-cyclopentylimino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one (CID 143468482) is (5S)-2-cyclopentylimino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5S)-2-cyclopentylimino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for (5S)-2-cyclopentylimino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)[C@]1(C)S/C(=N\C2CCCC2)NC1=O.
What is the InChIKey of (5S)-2-cyclopentylimino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is RDURRWKPYJVNFX-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8(2)12(3)10(15)14-11(16-12)13-9-6-4-5-7-9/h8-9H,4-7H2,1-3H3,(H,13,14,15)/t12-/m0/s1.
What are the key properties of (5S)-2-cyclopentylimino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
(5S)-2-cyclopentylimino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 240.37 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-cyclopentylimino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 143468482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).