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

C11H12N4OS — CID 102704945

IUPAC5-amino-2,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1cc(C)c(C(=O)Nc2nncs2)cc1N
InChIInChI=1S/C11H12N4OS/c1-6-3-7(2)9(12)4-8(6)10(16)14-11-15-13-5-17-11/h3-5H,12H2,1-2H3,(H,14,15,16)
InChIKeyUBZGDYNJUJEAPX-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.99
Rot. Bonds2

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

5-amino-2,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 102704945) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID102704945
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name5-amino-2,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1cc(C)c(C(=O)Nc2nncs2)cc1N
InChIInChI=1S/C11H12N4OS/c1-6-3-7(2)9(12)4-8(6)10(16)14-11-15-13-5-17-11/h3-5H,12H2,1-2H3,(H,14,15,16)
InChIKeyUBZGDYNJUJEAPX-UHFFFAOYSA-N
XLogP1.99
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2,4-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 102704840
3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 739253
2-hydrazinyl-5-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 62510782
2-amino-5-bromo-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62151599
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide
CID 102704950
2-amino-3,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 112606083
5-(ethylsulfamoyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 25486579
5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide
CID 102704977
4-bromo-N-(1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
CID 164647538
5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide
CID 102705824
6-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
CID 29370670
5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide
CID 107581692

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 5-amino-2,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 102704945) is 5-amino-2,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide is Cc1cc(C)c(C(=O)Nc2nncs2)cc1N.
What is the InChIKey of 5-amino-2,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is UBZGDYNJUJEAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-6-3-7(2)9(12)4-8(6)10(16)14-11-15-13-5-17-11/h3-5H,12H2,1-2H3,(H,14,15,16).
What are the key properties of 5-amino-2,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
5-amino-2,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 248.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 102704945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).