N-(5-pent-4-ynyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide

C15H15N3OS — CID 118621023

IUPACN-(5-pent-4-ynyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
SMILESC#CCCCc1nnc(NC(=O)Cc2ccccc2)s1
InChIInChI=1S/C15H15N3OS/c1-2-3-5-10-14-17-18-15(20-14)16-13(19)11-12-8-6-4-7-9-12/h1,4,6-9H,3,5,10-11H2,(H,16,18,19)
InChIKeyDJOBTKJTZGEZOE-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.68
Rot. Bonds6

About N-(5-pent-4-ynyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide

N-(5-pent-4-ynyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide (PubChem CID 118621023) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(5-pent-4-ynyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(5-pent-4-ynyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
PubChem CID118621023
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-(5-pent-4-ynyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
SMILESC#CCCCc1nnc(NC(=O)Cc2ccccc2)s1
InChIInChI=1S/C15H15N3OS/c1-2-3-5-10-14-17-18-15(20-14)16-13(19)11-12-8-6-4-7-9-12/h1,4,6-9H,3,5,10-11H2,(H,16,18,19)
InChIKeyDJOBTKJTZGEZOE-UHFFFAOYSA-N
XLogP2.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(5-pent-4-ynyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide 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

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-(4-phenylmethoxyphenyl)-N-[5-[4-[5-[[2-(4-phenylmethoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90183269
ethyl N-[5-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]carbamate
CID 74982527
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
2-phenyl-N-[5-[4-[5-[[2-(1H-1,2,4-triazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 163921152
5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 71457143
N-[5-[4-[6-[[2-(2-chlorophenyl)acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 74982735
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 18198073
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 23819133
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 805078
N-[5-[(5Z,7E)-5,8-diamino-8-[[2-(2-chlorophenyl)acetyl]amino]octa-5,7-dienyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 144641055
N-(5-but-3-ynyl-1,3,4-thiadiazol-2-yl)acetamide
CID 174996359

Frequently Asked Questions

What is the IUPAC name of N-(5-pent-4-ynyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide?
The IUPAC name of N-(5-pent-4-ynyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide (CID 118621023) is N-(5-pent-4-ynyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(5-pent-4-ynyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(5-pent-4-ynyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide is C#CCCCc1nnc(NC(=O)Cc2ccccc2)s1.
What is the InChIKey of N-(5-pent-4-ynyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide?
The InChIKey is DJOBTKJTZGEZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-3-5-10-14-17-18-15(20-14)16-13(19)11-12-8-6-4-7-9-12/h1,4,6-9H,3,5,10-11H2,(H,16,18,19).
What are the key properties of N-(5-pent-4-ynyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide?
N-(5-pent-4-ynyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide has a molecular weight of 285.37 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pent-4-ynyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 118621023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).