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

C22H27N5OS — CID 4545934

IUPAC2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)CN(Cc1ccccc1)c1nc(Cc2ccccc2)ns1
InChIInChI=1S/C22H27N5OS/c1-26(2)14-13-23-21(28)17-27(16-19-11-7-4-8-12-19)22-24-20(25-29-22)15-18-9-5-3-6-10-18/h3-12H,13-17H2,1-2H3,(H,23,28)
InChIKeyBXJUKRSRZGKQDE-UHFFFAOYSA-N
MW409.56 g/mol
LogP2.81
Rot. Bonds10

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

2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 4545934) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID4545934
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC Name2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)CN(Cc1ccccc1)c1nc(Cc2ccccc2)ns1
InChIInChI=1S/C22H27N5OS/c1-26(2)14-13-23-21(28)17-27(16-19-11-7-4-8-12-19)22-24-20(25-29-22)15-18-9-5-3-6-10-18/h3-12H,13-17H2,1-2H3,(H,23,28)
InChIKeyBXJUKRSRZGKQDE-UHFFFAOYSA-N
XLogP2.81
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 52.81
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-pentylacetamide
CID 4546088
2-[benzyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(3-methylbutyl)acetamide
CID 3544274
2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 3439752
2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 4670123
2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(4-phenylbutan-2-yl)acetamide
CID 3276873
2-(N-benzylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994706
3-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(3,3-diphenylpropyl)propanamide
CID 4002652
2-[benzyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-cyclopropylacetamide
CID 3511980
3-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-cyclopropylpropanamide
CID 5022129
2-[benzyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propan-2-ylacetamide
CID 3622092
N-benzyl-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 3380941
3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]-N-hexylpropanamide
CID 4578691

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-[2-(dimethylamino)ethyl]acetamide (CID 4545934) is 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCNC(=O)CN(Cc1ccccc1)c1nc(Cc2ccccc2)ns1.
What is the InChIKey of 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is BXJUKRSRZGKQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-26(2)14-13-23-21(28)17-27(16-19-11-7-4-8-12-19)22-24-20(25-29-22)15-18-9-5-3-6-10-18/h3-12H,13-17H2,1-2H3,(H,23,28).
What are the key properties of 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-[2-(dimethylamino)ethyl]acetamide?
2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 409.56 g/mol, XLogP of 2.81, 10 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-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 4545934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).