2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-pyridin-2-ylbutyl)acetamide

C13H17N5OS2 — CID 46986866

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-pyridin-2-ylbutyl)acetamide
SMILESNc1nnc(SCC(=O)NCCCCc2ccccn2)s1
InChIInChI=1S/C13H17N5OS2/c14-12-17-18-13(21-12)20-9-11(19)16-8-4-2-6-10-5-1-3-7-15-10/h1,3,5,7H,2,4,6,8-9H2,(H2,14,17)(H,16,19)
InChIKeyJRTCCAZAXLUEQP-UHFFFAOYSA-N
MW323.45 g/mol
LogP1.75
Rot. Bonds8

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-pyridin-2-ylbutyl)acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-pyridin-2-ylbutyl)acetamide (PubChem CID 46986866) has the molecular formula C13H17N5OS2 and a molecular weight of 323.45 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-pyridin-2-ylbutyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-pyridin-2-ylbutyl)acetamide
PubChem CID46986866
Molecular FormulaC13H17N5OS2
Molecular Weight323.45 g/mol
Exact Mass323.09
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-pyridin-2-ylbutyl)acetamide
SMILESNc1nnc(SCC(=O)NCCCCc2ccccn2)s1
InChIInChI=1S/C13H17N5OS2/c14-12-17-18-13(21-12)20-9-11(19)16-8-4-2-6-10-5-1-3-7-15-10/h1,3,5,7H,2,4,6,8-9H2,(H2,14,17)(H,16,19)
InChIKeyJRTCCAZAXLUEQP-UHFFFAOYSA-N
XLogP1.75
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.45
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide
CID 4805002
5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 14880955
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid
CID 123323650
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide
CID 30687916
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(3,5-dimethoxyphenyl)ethyl]acetamide
CID 46997951
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-bromophenyl)acetamide
CID 2171104
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 9199610
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 17393461
2-pyridin-2-ylsulfanyl-N-tetradecylacetamide
CID 2802554
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methylpyrimidin-2-yl)acetamide
CID 2458295
3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide
CID 131923133

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-pyridin-2-ylbutyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-pyridin-2-ylbutyl)acetamide (CID 46986866) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-pyridin-2-ylbutyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-pyridin-2-ylbutyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-pyridin-2-ylbutyl)acetamide is Nc1nnc(SCC(=O)NCCCCc2ccccn2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-pyridin-2-ylbutyl)acetamide?
The InChIKey is JRTCCAZAXLUEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS2/c14-12-17-18-13(21-12)20-9-11(19)16-8-4-2-6-10-5-1-3-7-15-10/h1,3,5,7H,2,4,6,8-9H2,(H2,14,17)(H,16,19).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-pyridin-2-ylbutyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-pyridin-2-ylbutyl)acetamide has a molecular weight of 323.45 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-pyridin-2-ylbutyl)acetamide is sourced from PubChem (CID 46986866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).