3-ethoxy-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine

C13H22N2OS — CID 64688766

IUPAC3-ethoxy-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2cnc(C)s2)C1(C)C
InChIInChI=1S/C13H22N2OS/c1-5-16-12-6-11(13(12,3)4)15-8-10-7-14-9(2)17-10/h7,11-12,15H,5-6,8H2,1-4H3
InChIKeyYDOJOAPFAZINRE-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.74
Rot. Bonds5

About 3-ethoxy-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine (PubChem CID 64688766) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine
PubChem CID64688766
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name3-ethoxy-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2cnc(C)s2)C1(C)C
InChIInChI=1S/C13H22N2OS/c1-5-16-12-6-11(13(12,3)4)15-8-10-7-14-9(2)17-10/h7,11-12,15H,5-6,8H2,1-4H3
InChIKeyYDOJOAPFAZINRE-UHFFFAOYSA-N
XLogP2.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine (CID 64688766) is 3-ethoxy-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine is CCOC1CC(NCc2cnc(C)s2)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine?
The InChIKey is YDOJOAPFAZINRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-5-16-12-6-11(13(12,3)4)15-8-10-7-14-9(2)17-10/h7,11-12,15H,5-6,8H2,1-4H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 64688766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).