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

C8H14N4OS2 — CID 4805002

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide
SMILESCCCCNC(=O)CSc1nnc(N)s1
InChIInChI=1S/C8H14N4OS2/c1-2-3-4-10-6(13)5-14-8-12-11-7(9)15-8/h2-5H2,1H3,(H2,9,11)(H,10,13)
InChIKeyTUVASLVQRNXGMX-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.13
Rot. Bonds6

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide (PubChem CID 4805002) has the molecular formula C8H14N4OS2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide
PubChem CID4805002
Molecular FormulaC8H14N4OS2
Molecular Weight246.36 g/mol
Exact Mass246.06
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide
SMILESCCCCNC(=O)CSc1nnc(N)s1
InChIInChI=1S/C8H14N4OS2/c1-2-3-4-10-6(13)5-14-8-12-11-7(9)15-8/h2-5H2,1H3,(H2,9,11)(H,10,13)
InChIKeyTUVASLVQRNXGMX-UHFFFAOYSA-N
XLogP1.13
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(2R)-pentan-2-yl]acetamide
CID 40629979
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 17393461
2-[[5-[2-(3-methoxypropylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 24574236
N-butyl-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2589017
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-pyridin-2-ylbutyl)acetamide
CID 46986866
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(3,5-dimethoxyphenyl)ethyl]acetamide
CID 46997951
(2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide
CID 9199588
2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide
CID 16500089
methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 7784001
(2S)-2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylpropanamide
CID 9376626
N-butyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2617357
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide
CID 30687916

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide (CID 4805002) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide is CCCCNC(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide?
The InChIKey is TUVASLVQRNXGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS2/c1-2-3-4-10-6(13)5-14-8-12-11-7(9)15-8/h2-5H2,1H3,(H2,9,11)(H,10,13).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide has a molecular weight of 246.36 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide is sourced from PubChem (CID 4805002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).