2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(pyridin-3-ylmethyl)acetamide

C24H23N5OS — CID 3276875

IUPAC2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccccc1)c1nc(Cc2ccccc2)ns1)NCc1cccnc1
InChIInChI=1S/C24H23N5OS/c30-23(26-16-21-12-7-13-25-15-21)18-29(17-20-10-5-2-6-11-20)24-27-22(28-31-24)14-19-8-3-1-4-9-19/h1-13,15H,14,16-18H2,(H,26,30)
InChIKeyYQXSWNNGMLNLJK-UHFFFAOYSA-N
MW429.55 g/mol
LogP3.85
Rot. Bonds9

About 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(pyridin-3-ylmethyl)acetamide

2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 3276875) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID3276875
Molecular FormulaC24H23N5OS
Molecular Weight429.55 g/mol
Exact Mass429.16
IUPAC Name2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccccc1)c1nc(Cc2ccccc2)ns1)NCc1cccnc1
InChIInChI=1S/C24H23N5OS/c30-23(26-16-21-12-7-13-25-15-21)18-29(17-20-10-5-2-6-11-20)24-27-22(28-31-24)14-19-8-3-1-4-9-19/h1-13,15H,14,16-18H2,(H,26,30)
InChIKeyYQXSWNNGMLNLJK-UHFFFAOYSA-N
XLogP3.85
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-[2-(dimethylamino)ethyl]acetamide
CID 4545934
2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(4-phenylbutan-2-yl)acetamide
CID 3276873
2-[benzyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(3,3-diphenylpropyl)acetamide
CID 3892734
2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 3439752
2-[benzyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-cyclopropylacetamide
CID 3511980
N-benzyl-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 3380941
2-[benzyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propan-2-ylacetamide
CID 3622092
3-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-cyclopropylpropanamide
CID 5022129
3-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(3,3-diphenylpropyl)propanamide
CID 4002652
3-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(1,2-diphenylethyl)propanamide
CID 4985492
2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113167103
N-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
CID 119433679

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(pyridin-3-ylmethyl)acetamide (CID 3276875) is 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(pyridin-3-ylmethyl)acetamide is O=C(CN(Cc1ccccc1)c1nc(Cc2ccccc2)ns1)NCc1cccnc1.
What is the InChIKey of 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is YQXSWNNGMLNLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5OS/c30-23(26-16-21-12-7-13-25-15-21)18-29(17-20-10-5-2-6-11-20)24-27-22(28-31-24)14-19-8-3-1-4-9-19/h1-13,15H,14,16-18H2,(H,26,30).
What are the key properties of 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(pyridin-3-ylmethyl)acetamide?
2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 429.55 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 3276875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).