1-(methoxymethyl)-N-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]cyclobutane-1-carboxamide

C18H22N2O2S — CID 50976742

IUPAC1-(methoxymethyl)-N-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)N(C)Cc2cnc(-c3ccccc3)s2)CCC1
InChIInChI=1S/C18H22N2O2S/c1-20(17(21)18(13-22-2)9-6-10-18)12-15-11-19-16(23-15)14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12-13H2,1-2H3
InChIKeyFCYAHZBGLQMWKV-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.59
Rot. Bonds6

About 1-(methoxymethyl)-N-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]cyclobutane-1-carboxamide

1-(methoxymethyl)-N-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 50976742) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-(methoxymethyl)-N-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(methoxymethyl)-N-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]cyclobutane-1-carboxamide
PubChem CID50976742
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-(methoxymethyl)-N-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)N(C)Cc2cnc(-c3ccccc3)s2)CCC1
InChIInChI=1S/C18H22N2O2S/c1-20(17(21)18(13-22-2)9-6-10-18)12-15-11-19-16(23-15)14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12-13H2,1-2H3
InChIKeyFCYAHZBGLQMWKV-UHFFFAOYSA-N
XLogP3.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.59
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-[(2-phenyl-1,3-thiazol-5-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(methoxymethyl)-N-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]cyclobutane-1-carboxamide (CID 50976742) is 1-(methoxymethyl)-N-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(methoxymethyl)-N-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(methoxymethyl)-N-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]cyclobutane-1-carboxamide is COCC1(C(=O)N(C)Cc2cnc(-c3ccccc3)s2)CCC1.
What is the InChIKey of 1-(methoxymethyl)-N-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is FCYAHZBGLQMWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-20(17(21)18(13-22-2)9-6-10-18)12-15-11-19-16(23-15)14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12-13H2,1-2H3.
What are the key properties of 1-(methoxymethyl)-N-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]cyclobutane-1-carboxamide?
1-(methoxymethyl)-N-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.59, 6 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-[(2-phenyl-1,3-thiazol-5-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 50976742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).