4-[[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one

C13H19N3OS2 — CID 136803572

IUPAC4-[[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1CCC2(CC1)CS/C(=N\Cc1csc(=O)[nH]1)N2
InChIInChI=1S/C13H19N3OS2/c1-9-2-4-13(5-3-9)8-19-11(16-13)14-6-10-7-18-12(17)15-10/h7,9H,2-6,8H2,1H3,(H,14,16)(H,15,17)
InChIKeyWCKQZUUYDVMEHP-UHFFFAOYSA-N
MW297.45 g/mol
LogP2.58
Rot. Bonds2

About 4-[[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 136803572) has the molecular formula C13H19N3OS2 and a molecular weight of 297.45 g/mol. Its IUPAC name is 4-[[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID136803572
Molecular FormulaC13H19N3OS2
Molecular Weight297.45 g/mol
Exact Mass297.10
IUPAC Name4-[[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1CCC2(CC1)CS/C(=N\Cc1csc(=O)[nH]1)N2
InChIInChI=1S/C13H19N3OS2/c1-9-2-4-13(5-3-9)8-19-11(16-13)14-6-10-7-18-12(17)15-10/h7,9H,2-6,8H2,1H3,(H,14,16)(H,15,17)
InChIKeyWCKQZUUYDVMEHP-UHFFFAOYSA-N
XLogP2.58
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[(4-ethyl-1,3-thiazinan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one
CID 136803565
N-(2-ethyl-2-methylsulfanylbutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136762643
8-methyl-N-[(2-methyloxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136905813
2-[2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]acetamide
CID 136805738
N-[(5-ethylthiophen-2-yl)methyl]-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136883446
2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]-N-propan-2-ylpropanamide
CID 136829995
N-(3-ethoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136696683
N-(3-methoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136696672
N-[(2-methylcyclohexyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 135977299
N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136998917
N-(1,3-dimethylpiperidin-4-yl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136929330
7-methyl-N-(3-methylsulfinylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136930287

Frequently Asked Questions

What is the IUPAC name of 4-[[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one (CID 136803572) is 4-[[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one is CC1CCC2(CC1)CS/C(=N\Cc1csc(=O)[nH]1)N2.
What is the InChIKey of 4-[[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is WCKQZUUYDVMEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS2/c1-9-2-4-13(5-3-9)8-19-11(16-13)14-6-10-7-18-12(17)15-10/h7,9H,2-6,8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 4-[[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 297.45 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 136803572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).