N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide

C15H13N3OS2 — CID 900582

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C15H13N3OS2/c19-13(10-12-7-4-8-20-12)16-15-18-17-14(21-15)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,18,19)
InChIKeyJDAKJOKHVHDECZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.37
Rot. Bonds5

About N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 900582) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
PubChem CID900582
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C15H13N3OS2/c19-13(10-12-7-4-8-20-12)16-15-18-17-14(21-15)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,18,19)
InChIKeyJDAKJOKHVHDECZ-UHFFFAOYSA-N
XLogP3.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-[sulfanediylbis(Ethane-2,1-Diyl-1,3,4-Thiadiazole-5,2-Diyl)]bis(2-Phenylacetamide)
CID 3372016
3-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 3152692
N-(5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 4116600
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 8438614
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 665475
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 697577
2-phenyl-2-(phenylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 2862025
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 2207086
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
2-phenyl-N-[5-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982407
Glutaminase-IN-4
CID 74982440
2-phenyl-N-[5-[[(1R,2R)-2-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclopropyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 89596774

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide (CID 900582) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1nnc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is JDAKJOKHVHDECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c19-13(10-12-7-4-8-20-12)16-15-18-17-14(21-15)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,18,19).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 315.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 900582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).