(5R)-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one

C12H20N2O2S — CID 135989117

IUPAC(5R)-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)[C@H]1S/C(=N/CC2CCOCC2)NC1=O
InChIInChI=1S/C12H20N2O2S/c1-8(2)10-11(15)14-12(17-10)13-7-9-3-5-16-6-4-9/h8-10H,3-7H2,1-2H3,(H,13,14,15)/t10-/m1/s1
InChIKeySFNCTHDABGWMQN-SNVBAGLBSA-N
MW256.37 g/mol
LogP1.66
Rot. Bonds3

About (5R)-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one

(5R)-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 135989117) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is (5R)-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID135989117
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name(5R)-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)[C@H]1S/C(=N/CC2CCOCC2)NC1=O
InChIInChI=1S/C12H20N2O2S/c1-8(2)10-11(15)14-12(17-10)13-7-9-3-5-16-6-4-9/h8-10H,3-7H2,1-2H3,(H,13,14,15)/t10-/m1/s1
InChIKeySFNCTHDABGWMQN-SNVBAGLBSA-N
XLogP1.66
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methylbutan-2-yl N-acetyl-N'-(oxan-4-ylmethyl)carbamimidothioate
CID 71171918
5-Methyl-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135611109
2-(Cyclohexylmethylimino)-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one
CID 135989643
(5S)-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989850
2-(Oxan-4-ylmethylimino)-1,3-thiazolidin-4-one
CID 136018602
2-Octylimino-5-(oxan-4-yl)-1,3-thiazolidin-4-one
CID 136503036
2-[2-(Oxan-4-yl)ethylimino]-1,3-thiazolidin-4-one
CID 141136196
(5R)-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one;(5S)-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one
CID 160083793
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide
CID 108464286
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 108468687
4,4-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine
CID 135998383
4,4-diethyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine
CID 136168630

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one (CID 135989117) is (5R)-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)[C@H]1S/C(=N/CC2CCOCC2)NC1=O.
What is the InChIKey of (5R)-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is SFNCTHDABGWMQN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8(2)10-11(15)14-12(17-10)13-7-9-3-5-16-6-4-9/h8-10H,3-7H2,1-2H3,(H,13,14,15)/t10-/m1/s1.
What are the key properties of (5R)-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one?
(5R)-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 256.37 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).