N-[5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide

C16H13N3O2S2 — CID 895629

IUPACN-[5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(SCC(=O)c2ccc3ccccc3c2)s1
InChIInChI=1S/C16H13N3O2S2/c1-10(20)17-15-18-19-16(23-15)22-9-14(21)13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,9H2,1H3,(H,17,18,20)
InChIKeyMNWCJJMZTVLLMW-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.62
Rot. Bonds5

About N-[5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide

N-[5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 895629) has the molecular formula C16H13N3O2S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID895629
Molecular FormulaC16H13N3O2S2
Molecular Weight343.43 g/mol
Exact Mass343.04
IUPAC NameN-[5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(SCC(=O)c2ccc3ccccc3c2)s1
InChIInChI=1S/C16H13N3O2S2/c1-10(20)17-15-18-19-16(23-15)22-9-14(21)13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,9H2,1H3,(H,17,18,20)
InChIKeyMNWCJJMZTVLLMW-UHFFFAOYSA-N
XLogP3.62
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze N-[5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide 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-[(5-Amino-1,3,4-thiadiazol-2-yl)thio]-1-(2-naphthyl)ethanone
CID 969552
N-(5-{[2-(2-naphthyl)-2-oxoethyl]thio}-1,3,4-thiadiazol-2-yl)-3-phenylacrylamide
CID 2294457
N-(5-{[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide
CID 3157351
N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-1-naphthamide
CID 4360816
N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
CID 975509
N-(5-((2-(9H-fluoren-2-yl)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide
CID 1318935
N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-naphthamide
CID 8482577
4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-[5-(naphthalen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 177374803
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-1H-isothiochromene-3-carboxamide
CID 16648953
N-{5-[(2-oxo-2-phenylethyl)thio]-1,3,4-thiadiazol-2-yl}acetamide
CID 717874
N-{5-[(3-acetyl-2,4,6-trimethylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
CID 806188
(2E)-N-{5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylprop-2-enamide
CID 1315189

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide (CID 895629) is N-[5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(SCC(=O)c2ccc3ccccc3c2)s1.
What is the InChIKey of N-[5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is MNWCJJMZTVLLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S2/c1-10(20)17-15-18-19-16(23-15)22-9-14(21)13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,9H2,1H3,(H,17,18,20).
What are the key properties of N-[5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 895629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).