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

C11H12N4OS — CID 104694500

IUPAC4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCc1nsc(NC(=O)c2ccc(CN)cc2)n1
InChIInChI=1S/C11H12N4OS/c1-7-13-11(17-15-7)14-10(16)9-4-2-8(6-12)3-5-9/h2-5H,6,12H2,1H3,(H,13,14,15,16)
InChIKeyPQUNTYXODIFSFB-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.56
Rot. Bonds3

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

4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 104694500) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID104694500
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCc1nsc(NC(=O)c2ccc(CN)cc2)n1
InChIInChI=1S/C11H12N4OS/c1-7-13-11(17-15-7)14-10(16)9-4-2-8(6-12)3-5-9/h2-5H,6,12H2,1H3,(H,13,14,15,16)
InChIKeyPQUNTYXODIFSFB-UHFFFAOYSA-N
XLogP1.56
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546952
N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 115661254
4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-pyridin-4-ylbenzamide
CID 136528474
5-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]pyridine-2-carboxylic acid
CID 113246377
4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-nitrobenzamide
CID 115661232
2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
CID 115661242
4-(aminomethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide;hydrochloride
CID 119300560
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
3-hydroxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide
CID 103712002
3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide
CID 115661259
N-(3-methyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 17013680
3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 91900874

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide (CID 104694500) is 4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide is Cc1nsc(NC(=O)c2ccc(CN)cc2)n1.
What is the InChIKey of 4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is PQUNTYXODIFSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7-13-11(17-15-7)14-10(16)9-4-2-8(6-12)3-5-9/h2-5H,6,12H2,1H3,(H,13,14,15,16).
What are the key properties of 4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide?
4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide has a molecular weight of 248.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 104694500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).