N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane

C21H27N3OS — CID 123768495

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
SMILESCC.CC.O=C(Cc1ccccc1)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C17H15N3OS.2C2H6/c21-15(11-13-7-3-1-4-8-13)18-17-20-19-16(22-17)12-14-9-5-2-6-10-14;2*1-2/h1-10H,11-12H2,(H,18,20,21);2*1-2H3
InChIKeyGUWTUQXHQFPUHV-UHFFFAOYSA-N
MW369.53 g/mol
LogP5.36
Rot. Bonds5

About N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane (PubChem CID 123768495) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
PubChem CID123768495
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
SMILESCC.CC.O=C(Cc1ccccc1)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C17H15N3OS.2C2H6/c21-15(11-13-7-3-1-4-8-13)18-17-20-19-16(22-17)12-14-9-5-2-6-10-14;2*1-2/h1-10H,11-12H2,(H,18,20,21);2*1-2H3
InChIKeyGUWTUQXHQFPUHV-UHFFFAOYSA-N
XLogP5.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.53
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 794578
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 23819133
2-phenyl-N-[5-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982401
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-ethoxyacetamide;hydrochloride
CID 163328991
4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide
CID 39182812
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-ethylphenyl)propanamide
CID 18272399
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-N'-hydroxyoctanediamide
CID 56944887
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 805078
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide
CID 7943874
N-[5-(cyclohexen-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 976052
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 8696893
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119566

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane (CID 123768495) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane is CC.CC.O=C(Cc1ccccc1)Nc1nnc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane?
The InChIKey is GUWTUQXHQFPUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS.2C2H6/c21-15(11-13-7-3-1-4-8-13)18-17-20-19-16(22-17)12-14-9-5-2-6-10-14;2*1-2/h1-10H,11-12H2,(H,18,20,21);2*1-2H3.
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane has a molecular weight of 369.53 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane is sourced from PubChem (CID 123768495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).