N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide

C20H21N3OS — CID 5040744

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
SMILESCCCCc1nnc(NC(=O)C(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C20H21N3OS/c1-2-3-14-17-22-23-20(25-17)21-19(24)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,18H,2-3,14H2,1H3,(H,21,23,24)
InChIKeyDCPKMFOWPXXKPZ-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.65
Rot. Bonds7

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide (PubChem CID 5040744) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
PubChem CID5040744
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
SMILESCCCCc1nnc(NC(=O)C(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C20H21N3OS/c1-2-3-14-17-22-23-20(25-17)21-19(24)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,18H,2-3,14H2,1H3,(H,21,23,24)
InChIKeyDCPKMFOWPXXKPZ-UHFFFAOYSA-N
XLogP4.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide 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

(2R)-2-methoxy-N-[5-[4-[5-[(2-methoxy-2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 134302619
N-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2,2-diphenylacetamide
CID 108766595
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 132962669
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2955149
2-amino-N-[5-[4-[5-(2-amino-2-phenylacetyl)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 123326629
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 7920328
2-hydroxy-N-[5-[4-[5-[(2-hydroxy-3-phenylpropanoyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 74982436
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 2972072
N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,2-diphenylacetamide
CID 52725730
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
2-methyl-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17320712

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide (CID 5040744) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide is CCCCc1nnc(NC(=O)C(c2ccccc2)c2ccccc2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide?
The InChIKey is DCPKMFOWPXXKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-2-3-14-17-22-23-20(25-17)21-19(24)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,18H,2-3,14H2,1H3,(H,21,23,24).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide has a molecular weight of 351.48 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide is sourced from PubChem (CID 5040744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).