2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide

C17H15N3O3S — CID 1400323

IUPAC2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1nnc(-c2ccccc2OC)s1
InChIInChI=1S/C17H15N3O3S/c1-22-13-9-5-3-7-11(13)15(21)18-17-20-19-16(24-17)12-8-4-6-10-14(12)23-2/h3-10H,1-2H3,(H,18,20,21)
InChIKeyCWYZQTGNJUCWHZ-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.47
Rot. Bonds5

About 2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide

2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 1400323) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID1400323
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1nnc(-c2ccccc2OC)s1
InChIInChI=1S/C17H15N3O3S/c1-22-13-9-5-3-7-11(13)15(21)18-17-20-19-16(24-17)12-8-4-6-10-14(12)23-2/h3-10H,1-2H3,(H,18,20,21)
InChIKeyCWYZQTGNJUCWHZ-UHFFFAOYSA-N
XLogP3.47
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 1400323) is 2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide is COc1ccccc1C(=O)Nc1nnc(-c2ccccc2OC)s1.
What is the InChIKey of 2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is CWYZQTGNJUCWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-22-13-9-5-3-7-11(13)15(21)18-17-20-19-16(24-17)12-8-4-6-10-14(12)23-2/h3-10H,1-2H3,(H,18,20,21).
What are the key properties of 2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 341.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 1400323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).