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

C10H10N4OS — CID 79516914

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1nnc(N)s1
InChIInChI=1S/C10H10N4OS/c1-6-4-2-3-5-7(6)8(15)12-10-14-13-9(11)16-10/h2-5H,1H3,(H2,11,13)(H,12,14,15)
InChIKeyQQQZMZDFHQJDTD-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.68
Rot. Bonds2

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

N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide (PubChem CID 79516914) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
PubChem CID79516914
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1nnc(N)s1
InChIInChI=1S/C10H10N4OS/c1-6-4-2-3-5-7(6)8(15)12-10-14-13-9(11)16-10/h2-5H,1H3,(H2,11,13)(H,12,14,15)
InChIKeyQQQZMZDFHQJDTD-UHFFFAOYSA-N
XLogP1.68
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-amino-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
CID 79513455
N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-dimethylbenzamide
CID 79513275
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 82176851
N-[5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 82176766
5-[(2-methylbenzoyl)amino]-1,3,4-thiadiazole-2-sulfonyl chloride
CID 100587660
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide
CID 79513071
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 769140
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylbenzamide
CID 92660456
N-[5-(benzylideneamino)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 3433323
N-[5-[(3,5-dimethylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 100660058
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide
CID 106856525
N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-difluorobenzamide
CID 79512495

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide (CID 79516914) is N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide is Cc1ccccc1C(=O)Nc1nnc(N)s1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide?
The InChIKey is QQQZMZDFHQJDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c1-6-4-2-3-5-7(6)8(15)12-10-14-13-9(11)16-10/h2-5H,1H3,(H2,11,13)(H,12,14,15).
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide has a molecular weight of 234.28 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide is sourced from PubChem (CID 79516914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).