1-(methoxymethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide

C13H20N2O2S — CID 50959993

IUPAC1-(methoxymethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)N(C)C(C)c2nccs2)CCC1
InChIInChI=1S/C13H20N2O2S/c1-10(11-14-7-8-18-11)15(2)12(16)13(9-17-3)5-4-6-13/h7-8,10H,4-6,9H2,1-3H3
InChIKeySQHOJXOADSZFBC-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.48
Rot. Bonds5

About 1-(methoxymethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide

1-(methoxymethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 50959993) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(methoxymethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(methoxymethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID50959993
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-(methoxymethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)N(C)C(C)c2nccs2)CCC1
InChIInChI=1S/C13H20N2O2S/c1-10(11-14-7-8-18-11)15(2)12(16)13(9-17-3)5-4-6-13/h7-8,10H,4-6,9H2,1-3H3
InChIKeySQHOJXOADSZFBC-UHFFFAOYSA-N
XLogP2.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(methoxymethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide (CID 50959993) is 1-(methoxymethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(methoxymethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(methoxymethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide is COCC1(C(=O)N(C)C(C)c2nccs2)CCC1.
What is the InChIKey of 1-(methoxymethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is SQHOJXOADSZFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(11-14-7-8-18-11)15(2)12(16)13(9-17-3)5-4-6-13/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 1-(methoxymethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide?
1-(methoxymethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 50959993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).