2,6-dimethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide

C16H16N4O4S — CID 46956983

IUPAC2,6-dimethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1nnc(-c2scnc2C)o1
InChIInChI=1S/C16H16N4O4S/c1-9-14(25-8-18-9)16-20-19-12(24-16)7-17-15(21)13-10(22-2)5-4-6-11(13)23-3/h4-6,8H,7H2,1-3H3,(H,17,21)
InChIKeyXNIRUZMXARYEGV-UHFFFAOYSA-N
MW360.40 g/mol
LogP2.45
Rot. Bonds6

About 2,6-dimethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide

2,6-dimethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 46956983) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID46956983
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Name2,6-dimethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1nnc(-c2scnc2C)o1
InChIInChI=1S/C16H16N4O4S/c1-9-14(25-8-18-9)16-20-19-12(24-16)7-17-15(21)13-10(22-2)5-4-6-11(13)23-3/h4-6,8H,7H2,1-3H3,(H,17,21)
InChIKeyXNIRUZMXARYEGV-UHFFFAOYSA-N
XLogP2.45
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 46956983) is 2,6-dimethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is COc1cccc(OC)c1C(=O)NCc1nnc(-c2scnc2C)o1.
What is the InChIKey of 2,6-dimethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is XNIRUZMXARYEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-9-14(25-8-18-9)16-20-19-12(24-16)7-17-15(21)13-10(22-2)5-4-6-11(13)23-3/h4-6,8H,7H2,1-3H3,(H,17,21).
What are the key properties of 2,6-dimethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
2,6-dimethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 360.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 46956983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).