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

C11H12N4OS — CID 82546952

IUPAC4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(CN)cc2)s1
InChIInChI=1S/C11H12N4OS/c1-7-14-15-11(17-7)13-10(16)9-4-2-8(6-12)3-5-9/h2-5H,6,12H2,1H3,(H,13,15,16)
InChIKeyGUJXDUMBUCLSJA-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.56
Rot. Bonds3

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

4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 82546952) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID82546952
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(CN)cc2)s1
InChIInChI=1S/C11H12N4OS/c1-7-14-15-11(17-7)13-10(16)9-4-2-8(6-12)3-5-9/h2-5H,6,12H2,1H3,(H,13,15,16)
InChIKeyGUJXDUMBUCLSJA-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-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
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-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
CID 104694500
2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 16644458
4-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 6458348
4-hydroxy-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 113357489
4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 19225847
1-[4-(aminomethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 106082808
3-(cyanomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82179662
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 26209944
N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 2449777

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 82546952) is 4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2ccc(CN)cc2)s1.
What is the InChIKey of 4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is GUJXDUMBUCLSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7-14-15-11(17-7)13-10(16)9-4-2-8(6-12)3-5-9/h2-5H,6,12H2,1H3,(H,13,15,16).
What are the key properties of 4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-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-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 82546952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).