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

C11H11N3OS — CID 676913

IUPAC4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C11H11N3OS/c1-7-3-5-9(6-4-7)10(15)12-11-14-13-8(2)16-11/h3-6H,1-2H3,(H,12,14,15)
InChIKeyIKAJSLFVCPMOCD-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.41
Rot. Bonds2

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

4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 676913) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID676913
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C11H11N3OS/c1-7-3-5-9(6-4-7)10(15)12-11-14-13-8(2)16-11/h3-6H,1-2H3,(H,12,14,15)
InChIKeyIKAJSLFVCPMOCD-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 741024
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide
CID 848587
4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546952
2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 16644458
4-methyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3621803
4-hydroxy-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 113357489
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675853
N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 2449777
4-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 6458348
N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide
CID 71946256
3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 16813790
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 84560792

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 676913) is 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1ccc(C(=O)Nc2nnc(C)s2)cc1.
What is the InChIKey of 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is IKAJSLFVCPMOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-3-5-9(6-4-7)10(15)12-11-14-13-8(2)16-11/h3-6H,1-2H3,(H,12,14,15).
What are the key properties of 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 233.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 676913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).