4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

C15H25N3OS — CID 75483282

IUPAC4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCCOC1CC(NCc2csc(N(C)C)n2)C12CCC2
InChIInChI=1S/C15H25N3OS/c1-4-19-13-8-12(15(13)6-5-7-15)16-9-11-10-20-14(17-11)18(2)3/h10,12-13,16H,4-9H2,1-3H3
InChIKeyFVVQERVYGKRJJO-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.65
Rot. Bonds6

About 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 75483282) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID75483282
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCCOC1CC(NCc2csc(N(C)C)n2)C12CCC2
InChIInChI=1S/C15H25N3OS/c1-4-19-13-8-12(15(13)6-5-7-15)16-9-11-10-20-14(17-11)18(2)3/h10,12-13,16H,4-9H2,1-3H3
InChIKeyFVVQERVYGKRJJO-UHFFFAOYSA-N
XLogP2.65
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (CID 75483282) is 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is CCOC1CC(NCc2csc(N(C)C)n2)C12CCC2.
What is the InChIKey of 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is FVVQERVYGKRJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-4-19-13-8-12(15(13)6-5-7-15)16-9-11-10-20-14(17-11)18(2)3/h10,12-13,16H,4-9H2,1-3H3.
What are the key properties of 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 295.45 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 75483282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).