5-(2-hydroxypropan-2-yl)-5-methyl-2-[[(1S,2S,4R)-1-methyl-2-bicyclo[2.2.1]heptanyl]imino]-1,3-thiazolidin-4-one

C15H24N2O2S — CID 136607283

IUPAC5-(2-hydroxypropan-2-yl)-5-methyl-2-[[(1S,2S,4R)-1-methyl-2-bicyclo[2.2.1]heptanyl]imino]-1,3-thiazolidin-4-one
SMILESCC(C)(O)C1(C)S/C(=N/[C@H]2C[C@@H]3CC[C@@]2(C)C3)NC1=O
InChIInChI=1S/C15H24N2O2S/c1-13(2,19)15(4)11(18)17-12(20-15)16-10-7-9-5-6-14(10,3)8-9/h9-10,19H,5-8H2,1-4H3,(H,16,17,18)/t9-,10-,14-,15?/m0/s1
InChIKeyPILNCDFRWZERCB-OWATUWNVSA-N
MW296.44 g/mol
LogP2.31
Rot. Bonds2

About 5-(2-hydroxypropan-2-yl)-5-methyl-2-[[(1S,2S,4R)-1-methyl-2-bicyclo[2.2.1]heptanyl]imino]-1,3-thiazolidin-4-one

5-(2-hydroxypropan-2-yl)-5-methyl-2-[[(1S,2S,4R)-1-methyl-2-bicyclo[2.2.1]heptanyl]imino]-1,3-thiazolidin-4-one (PubChem CID 136607283) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-(2-hydroxypropan-2-yl)-5-methyl-2-[[(1S,2S,4R)-1-methyl-2-bicyclo[2.2.1]heptanyl]imino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(2-hydroxypropan-2-yl)-5-methyl-2-[[(1S,2S,4R)-1-methyl-2-bicyclo[2.2.1]heptanyl]imino]-1,3-thiazolidin-4-one
PubChem CID136607283
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name5-(2-hydroxypropan-2-yl)-5-methyl-2-[[(1S,2S,4R)-1-methyl-2-bicyclo[2.2.1]heptanyl]imino]-1,3-thiazolidin-4-one
SMILESCC(C)(O)C1(C)S/C(=N/[C@H]2C[C@@H]3CC[C@@]2(C)C3)NC1=O
InChIInChI=1S/C15H24N2O2S/c1-13(2,19)15(4)11(18)17-12(20-15)16-10-7-9-5-6-14(10,3)8-9/h9-10,19H,5-8H2,1-4H3,(H,16,17,18)/t9-,10-,14-,15?/m0/s1
InChIKeyPILNCDFRWZERCB-OWATUWNVSA-N
XLogP2.31
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2-hydroxypropan-2-yl)-5-methyl-2-[[(1S,2S,4R)-1-methyl-2-bicyclo[2.2.1]heptanyl]imino]-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

2-[[(2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
CID 136503065
2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazolidin-4-one
CID 135989355
(5R)-2-[[(2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-(2-fluoropropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
CID 136503261
(5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-(1,1-difluoroethyl)-5-methyl-1,3-thiazolidin-4-one
CID 135999762
2-(5,5-difluorocyclooctyl)imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
CID 135989738
2-(1-bicyclo[2.2.1]heptanylimino)-5-methyl-5-propyl-1,3-thiazolidin-4-one
CID 135783326
(5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
CID 135566449
2-(1-adamantylimino)-5-methyl-5-phenyl-1,3-thiazolidin-4-one
CID 135989704
2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-[2-[2-(1-methylpiperidin-4-yl)ethoxy]propan-2-yl]-1,3-thiazolidin-4-one
CID 135989445
(1R,2S,4S)-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 98523902
(5S)-5-acetyl-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-1,3-thiazolidin-4-one;(5R)-5-acetyl-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-1,3-thiazolidin-4-one
CID 158700064
4-[[2-(2-bicyclo[2.2.1]heptanylimino)-5-methyl-4-oxo-1,3-thiazolidin-5-yl]-difluoromethyl]pyridine-2-carboxamide
CID 135989366

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropan-2-yl)-5-methyl-2-[[(1S,2S,4R)-1-methyl-2-bicyclo[2.2.1]heptanyl]imino]-1,3-thiazolidin-4-one?
The IUPAC name of 5-(2-hydroxypropan-2-yl)-5-methyl-2-[[(1S,2S,4R)-1-methyl-2-bicyclo[2.2.1]heptanyl]imino]-1,3-thiazolidin-4-one (CID 136607283) is 5-(2-hydroxypropan-2-yl)-5-methyl-2-[[(1S,2S,4R)-1-methyl-2-bicyclo[2.2.1]heptanyl]imino]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(2-hydroxypropan-2-yl)-5-methyl-2-[[(1S,2S,4R)-1-methyl-2-bicyclo[2.2.1]heptanyl]imino]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(2-hydroxypropan-2-yl)-5-methyl-2-[[(1S,2S,4R)-1-methyl-2-bicyclo[2.2.1]heptanyl]imino]-1,3-thiazolidin-4-one is CC(C)(O)C1(C)S/C(=N/[C@H]2C[C@@H]3CC[C@@]2(C)C3)NC1=O.
What is the InChIKey of 5-(2-hydroxypropan-2-yl)-5-methyl-2-[[(1S,2S,4R)-1-methyl-2-bicyclo[2.2.1]heptanyl]imino]-1,3-thiazolidin-4-one?
The InChIKey is PILNCDFRWZERCB-OWATUWNVSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-13(2,19)15(4)11(18)17-12(20-15)16-10-7-9-5-6-14(10,3)8-9/h9-10,19H,5-8H2,1-4H3,(H,16,17,18)/t9-,10-,14-,15?/m0/s1.
What are the key properties of 5-(2-hydroxypropan-2-yl)-5-methyl-2-[[(1S,2S,4R)-1-methyl-2-bicyclo[2.2.1]heptanyl]imino]-1,3-thiazolidin-4-one?
5-(2-hydroxypropan-2-yl)-5-methyl-2-[[(1S,2S,4R)-1-methyl-2-bicyclo[2.2.1]heptanyl]imino]-1,3-thiazolidin-4-one has a molecular weight of 296.44 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropan-2-yl)-5-methyl-2-[[(1S,2S,4R)-1-methyl-2-bicyclo[2.2.1]heptanyl]imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136607283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).