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

C11H11N3OS — CID 129145085

IUPACN-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCNC(=O)c1ccc(-c2nnc(C)s2)cc1
InChIInChI=1S/C11H11N3OS/c1-7-13-14-11(16-7)9-5-3-8(4-6-9)10(15)12-2/h3-6H,1-2H3,(H,12,15)
InChIKeyODKOXPVQLYDRCC-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.87
Rot. Bonds2

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

N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 129145085) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID129145085
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCNC(=O)c1ccc(-c2nnc(C)s2)cc1
InChIInChI=1S/C11H11N3OS/c1-7-13-14-11(16-7)9-5-3-8(4-6-9)10(15)12-2/h3-6H,1-2H3,(H,12,15)
InChIKeyODKOXPVQLYDRCC-UHFFFAOYSA-N
XLogP1.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethoxy-N-methyl-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide
CID 141309870
2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole
CID 22899617
methyl 4-[5-(4-methoxycarbonylphenyl)-1,3,4-thiadiazol-2-yl]benzoate
CID 131710035
N,2-dimethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]propanamide
CID 123958548
4-[5-(4-carboxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid
CID 13351514
2-methyl-5-pyridin-4-yl-1,3,4-thiadiazole
CID 23346364
4-(4-cyanophenyl)-N-methylbenzamide
CID 130318851
N-methyl-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1483692
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
5-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one
CID 137287503
4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 741034
4-(4-aminophenyl)-N-methylbenzamide
CID 91665695

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 129145085) is N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is CNC(=O)c1ccc(-c2nnc(C)s2)cc1.
What is the InChIKey of N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is ODKOXPVQLYDRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-13-14-11(16-7)9-5-3-8(4-6-9)10(15)12-2/h3-6H,1-2H3,(H,12,15).
What are the key properties of N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 233.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 129145085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).