N-methyl-3-[5-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]azetidin-3-yl]-1,2,4-oxadiazol-3-yl]benzamide

C18H18N6O3S — CID 71784202

IUPACN-methyl-3-[5-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]azetidin-3-yl]-1,2,4-oxadiazol-3-yl]benzamide
SMILESCNC(=O)c1cccc(-c2noc(C3CN(CC(=O)Nc4nccs4)C3)n2)c1
InChIInChI=1S/C18H18N6O3S/c1-19-16(26)12-4-2-3-11(7-12)15-22-17(27-23-15)13-8-24(9-13)10-14(25)21-18-20-5-6-28-18/h2-7,13H,8-10H2,1H3,(H,19,26)(H,20,21,25)
InChIKeyYOKVJNCQZAWJMS-UHFFFAOYSA-N
MW398.45 g/mol
LogP1.59
Rot. Bonds6

About N-methyl-3-[5-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]azetidin-3-yl]-1,2,4-oxadiazol-3-yl]benzamide

N-methyl-3-[5-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]azetidin-3-yl]-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 71784202) has the molecular formula C18H18N6O3S and a molecular weight of 398.45 g/mol. Its IUPAC name is N-methyl-3-[5-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]azetidin-3-yl]-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[5-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]azetidin-3-yl]-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID71784202
Molecular FormulaC18H18N6O3S
Molecular Weight398.45 g/mol
Exact Mass398.12
IUPAC NameN-methyl-3-[5-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]azetidin-3-yl]-1,2,4-oxadiazol-3-yl]benzamide
SMILESCNC(=O)c1cccc(-c2noc(C3CN(CC(=O)Nc4nccs4)C3)n2)c1
InChIInChI=1S/C18H18N6O3S/c1-19-16(26)12-4-2-3-11(7-12)15-22-17(27-23-15)13-8-24(9-13)10-14(25)21-18-20-5-6-28-18/h2-7,13H,8-10H2,1H3,(H,19,26)(H,20,21,25)
InChIKeyYOKVJNCQZAWJMS-UHFFFAOYSA-N
XLogP1.59
TPSA113.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]azetidin-3-yl]-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-methyl-3-[5-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]azetidin-3-yl]-1,2,4-oxadiazol-3-yl]benzamide (CID 71784202) is N-methyl-3-[5-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]azetidin-3-yl]-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-methyl-3-[5-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]azetidin-3-yl]-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-methyl-3-[5-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]azetidin-3-yl]-1,2,4-oxadiazol-3-yl]benzamide is CNC(=O)c1cccc(-c2noc(C3CN(CC(=O)Nc4nccs4)C3)n2)c1.
What is the InChIKey of N-methyl-3-[5-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]azetidin-3-yl]-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is YOKVJNCQZAWJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3S/c1-19-16(26)12-4-2-3-11(7-12)15-22-17(27-23-15)13-8-24(9-13)10-14(25)21-18-20-5-6-28-18/h2-7,13H,8-10H2,1H3,(H,19,26)(H,20,21,25).
What are the key properties of N-methyl-3-[5-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]azetidin-3-yl]-1,2,4-oxadiazol-3-yl]benzamide?
N-methyl-3-[5-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]azetidin-3-yl]-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 398.45 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[5-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]azetidin-3-yl]-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 71784202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).