3-ethoxy-2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine

C12H20N2O2S — CID 113364966

IUPAC3-ethoxy-2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2csc(C)n2)C1OC
InChIInChI=1S/C12H20N2O2S/c1-4-16-11-5-10(12(11)15-3)13-6-9-7-17-8(2)14-9/h7,10-13H,4-6H2,1-3H3
InChIKeySMLAYQYEXNQUGU-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.73
Rot. Bonds6

About 3-ethoxy-2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine

3-ethoxy-2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine (PubChem CID 113364966) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-ethoxy-2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine
PubChem CID113364966
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name3-ethoxy-2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2csc(C)n2)C1OC
InChIInChI=1S/C12H20N2O2S/c1-4-16-11-5-10(12(11)15-3)13-6-9-7-17-8(2)14-9/h7,10-13H,4-6H2,1-3H3
InChIKeySMLAYQYEXNQUGU-UHFFFAOYSA-N
XLogP1.73
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-2-ethyl-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine
CID 65167740
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclopentan-1-ol
CID 61285787
2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 60961514
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 103701163
1,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
CID 81325150
N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 97307566
cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 124739593
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
3-ethoxy-2-methoxy-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
CID 104759373
4,6-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 62859987
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43215967

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine (CID 113364966) is 3-ethoxy-2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine is CCOC1CC(NCc2csc(C)n2)C1OC.
What is the InChIKey of 3-ethoxy-2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine?
The InChIKey is SMLAYQYEXNQUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-16-11-5-10(12(11)15-3)13-6-9-7-17-8(2)14-9/h7,10-13H,4-6H2,1-3H3.
What are the key properties of 3-ethoxy-2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine?
3-ethoxy-2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine has a molecular weight of 256.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 113364966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).