2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

C17H15N3O2S — CID 897595

IUPAC2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1ccccc1C(=O)N(C)c1nnc(-c2ccccc2)s1
InChIInChI=1S/C17H15N3O2S/c1-20(16(21)13-10-6-7-11-14(13)22-2)17-19-18-15(23-17)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyXACIAOKXMBKTFF-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.49
Rot. Bonds4

About 2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 897595) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID897595
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1ccccc1C(=O)N(C)c1nnc(-c2ccccc2)s1
InChIInChI=1S/C17H15N3O2S/c1-20(16(21)13-10-6-7-11-14(13)22-2)17-19-18-15(23-17)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyXACIAOKXMBKTFF-UHFFFAOYSA-N
XLogP3.49
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 747323
2-methoxy-4-(methylthio)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1094114
4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 794237
2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1121149
ethyl [(5E)-5-{[(2-methoxyphenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
CID 665316
2-fluoro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 697520
N-[5-(4-Fluoro-phenyl)-[1,3,4]thiadiazol-2-yl]-2-methoxy-benzamide
CID 741043
2,6-dimethoxy-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1150758
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 1451418
1-[[4-[5-[Butyl-(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]azetidine-3-carboxylic acid
CID 45377938
N-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 118707008
2-ethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 750667

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (CID 897595) is 2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is COc1ccccc1C(=O)N(C)c1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is XACIAOKXMBKTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-20(16(21)13-10-6-7-11-14(13)22-2)17-19-18-15(23-17)12-8-4-3-5-9-12/h3-11H,1-2H3.
What are the key properties of 2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 325.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 897595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).