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

C10H10N4OS — CID 3783171

IUPACN-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nsc(N)n2)cc1
InChIInChI=1S/C10H10N4OS/c1-6-2-4-7(5-3-6)8(15)12-10-13-9(11)16-14-10/h2-5H,1H3,(H3,11,12,13,14,15)
InChIKeyNSWSKCVSRPAYBH-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.68
Rot. Bonds2

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

N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzamide (PubChem CID 3783171) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzamide
PubChem CID3783171
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC NameN-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nsc(N)n2)cc1
InChIInChI=1S/C10H10N4OS/c1-6-2-4-7(5-3-6)8(15)12-10-13-9(11)16-14-10/h2-5H,1H3,(H3,11,12,13,14,15)
InChIKeyNSWSKCVSRPAYBH-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-1,2,4-thiadiazol-3-yl)-3-methylbenzamide
CID 1115754
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylbenzamide
CID 27046784
N-(2-amino-1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 19894896
N-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide
CID 58205209
N-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide
CID 35673976
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
4-amino-N-(4-methylphenyl)benzamide;methane;[4-[(4-methylphenyl)carbamoyl]phenyl]azanium;chloride;hydrochloride
CID 161049145
N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloroacetamide
CID 35794344
4-methyl-N-[6-(methylamino)-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]benzamide
CID 58205190
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
4-tert-butyl-N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]benzamide
CID 2212627

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzamide?
The IUPAC name of N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzamide (CID 3783171) is N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzamide.
What is the SMILES notation for N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzamide?
The canonical SMILES for N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2nsc(N)n2)cc1.
What is the InChIKey of N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzamide?
The InChIKey is NSWSKCVSRPAYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c1-6-2-4-7(5-3-6)8(15)12-10-13-9(11)16-14-10/h2-5H,1H3,(H3,11,12,13,14,15).
What are the key properties of N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzamide?
N-(5-amino-1,2,4-thiadiazol-3-yl)-4-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-1,2,4-thiadiazol-3-yl)-4-methylbenzamide is sourced from PubChem (CID 3783171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).