N-hexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C10H17N3OS2 — CID 47115885

IUPACN-hexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCCCCCCNC(=O)CSc1nncs1
InChIInChI=1S/C10H17N3OS2/c1-2-3-4-5-6-11-9(14)7-15-10-13-12-8-16-10/h8H,2-7H2,1H3,(H,11,14)
InChIKeyYGPKPJNSPIJGRP-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.33
Rot. Bonds8

About N-hexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-hexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 47115885) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-hexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-hexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID47115885
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC NameN-hexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCCCCCCNC(=O)CSc1nncs1
InChIInChI=1S/C10H17N3OS2/c1-2-3-4-5-6-11-9(14)7-15-10-13-12-8-16-10/h8H,2-7H2,1H3,(H,11,14)
InChIKeyYGPKPJNSPIJGRP-UHFFFAOYSA-N
XLogP2.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 47115851
N-(3-methylbutylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532159
N-[2-(4-chlorophenoxy)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 40749903
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide
CID 4805002
N-[2-(3-methylphenoxy)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 17415718
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-pentylacetamide
CID 40673546
2-pyridin-2-ylsulfanyl-N-tetradecylacetamide
CID 2802554
2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 51122393
N-hexyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 34392141
N,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide
CID 2532520
N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2507663
2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-pentylacetamide
CID 9483825

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-hexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 47115885) is N-hexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-hexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-hexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is CCCCCCNC(=O)CSc1nncs1.
What is the InChIKey of N-hexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is YGPKPJNSPIJGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-2-3-4-5-6-11-9(14)7-15-10-13-12-8-16-10/h8H,2-7H2,1H3,(H,11,14).
What are the key properties of N-hexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-hexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 259.40 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 47115885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).