4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-pyridin-4-ylbenzamide

C16H15N5OS — CID 136528474

IUPAC4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-pyridin-4-ylbenzamide
SMILESCc1nsc(NCc2ccc(C(=O)Nc3ccncc3)cc2)n1
InChIInChI=1S/C16H15N5OS/c1-11-19-16(23-21-11)18-10-12-2-4-13(5-3-12)15(22)20-14-6-8-17-9-7-14/h2-9H,10H2,1H3,(H,17,20,22)(H,18,19,21)
InChIKeyDHIDCVHSRQNSQG-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.11
Rot. Bonds5

About 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-pyridin-4-ylbenzamide

4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-pyridin-4-ylbenzamide (PubChem CID 136528474) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-pyridin-4-ylbenzamide
PubChem CID136528474
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-pyridin-4-ylbenzamide
SMILESCc1nsc(NCc2ccc(C(=O)Nc3ccncc3)cc2)n1
InChIInChI=1S/C16H15N5OS/c1-11-19-16(23-21-11)18-10-12-2-4-13(5-3-12)15(22)20-14-6-8-17-9-7-14/h2-9H,10H2,1H3,(H,17,20,22)(H,18,19,21)
InChIKeyDHIDCVHSRQNSQG-UHFFFAOYSA-N
XLogP3.11
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]benzamide
CID 133319767
cobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide
CID 59994750
4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
CID 104694500
4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552
4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047754
4-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119864759
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
N-[4-(ethylaminomethyl)phenyl]pyridine-4-carboxamide
CID 106910118
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
4-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119864763
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
N-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133300375

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-pyridin-4-ylbenzamide (CID 136528474) is 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-pyridin-4-ylbenzamide is Cc1nsc(NCc2ccc(C(=O)Nc3ccncc3)cc2)n1.
What is the InChIKey of 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-pyridin-4-ylbenzamide?
The InChIKey is DHIDCVHSRQNSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-11-19-16(23-21-11)18-10-12-2-4-13(5-3-12)15(22)20-14-6-8-17-9-7-14/h2-9H,10H2,1H3,(H,17,20,22)(H,18,19,21).
What are the key properties of 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-pyridin-4-ylbenzamide?
4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-pyridin-4-ylbenzamide has a molecular weight of 325.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 136528474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).