4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one

C13H20N2O2S — CID 114181339

IUPAC4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCOC1CC(NCc2csc(=O)[nH]2)C12CCC2
InChIInChI=1S/C13H20N2O2S/c1-2-17-11-6-10(13(11)4-3-5-13)14-7-9-8-18-12(16)15-9/h8,10-11,14H,2-7H2,1H3,(H,15,16)
InChIKeyARDDCITUTMBRKP-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.87
Rot. Bonds5

About 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 114181339) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID114181339
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCOC1CC(NCc2csc(=O)[nH]2)C12CCC2
InChIInChI=1S/C13H20N2O2S/c1-2-17-11-6-10(13(11)4-3-5-13)14-7-9-8-18-12(16)15-9/h8,10-11,14H,2-7H2,1H3,(H,15,16)
InChIKeyARDDCITUTMBRKP-UHFFFAOYSA-N
XLogP1.87
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

4-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379615
4-[[(3-ethoxyspiro[3.5]nonan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379702
4-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379837
4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380209
4-[[(2-propan-2-yloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380329
4-[[(3-ethoxyspiro[3.4]octan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380437
4-[[(2-ethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380525
4-[[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381911
4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181260
4-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181302
4-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181317
4-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181436

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 114181339) is 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one is CCOC1CC(NCc2csc(=O)[nH]2)C12CCC2.
What is the InChIKey of 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is ARDDCITUTMBRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-17-11-6-10(13(11)4-3-5-13)14-7-9-8-18-12(16)15-9/h8,10-11,14H,2-7H2,1H3,(H,15,16).
What are the key properties of 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 268.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114181339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).