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

C7H9F3N4OS2 — CID 71917031

IUPACN-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide
SMILESNc1nnc(SCCCNC(=O)C(F)(F)F)s1
InChIInChI=1S/C7H9F3N4OS2/c8-7(9,10)4(15)12-2-1-3-16-6-14-13-5(11)17-6/h1-3H2,(H2,11,13)(H,12,15)
InChIKeyOYFUICQNCDAMPL-UHFFFAOYSA-N
MW286.30 g/mol
LogP1.28
Rot. Bonds5

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

N-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide (PubChem CID 71917031) has the molecular formula C7H9F3N4OS2 and a molecular weight of 286.30 g/mol. Its IUPAC name is N-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide
PubChem CID71917031
Molecular FormulaC7H9F3N4OS2
Molecular Weight286.30 g/mol
Exact Mass286.02
IUPAC NameN-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide
SMILESNc1nnc(SCCCNC(=O)C(F)(F)F)s1
InChIInChI=1S/C7H9F3N4OS2/c8-7(9,10)4(15)12-2-1-3-16-6-14-13-5(11)17-6/h1-3H2,(H2,11,13)(H,12,15)
InChIKeyOYFUICQNCDAMPL-UHFFFAOYSA-N
XLogP1.28
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 51.28
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-ylsulfanyl)-N-isopropyl-acetamide
CID 8633017
2-((5-amino-1,3,4-thiadiazol-2-yl)thio)-N-isobutylacetamide
CID 16524208
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8674648
2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2501577
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8228901
2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8351980
2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8910918
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 16380115
2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 16500054
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 17393461
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 18278457
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 25381621

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide (CID 71917031) is N-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide is Nc1nnc(SCCCNC(=O)C(F)(F)F)s1.
What is the InChIKey of N-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide?
The InChIKey is OYFUICQNCDAMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4OS2/c8-7(9,10)4(15)12-2-1-3-16-6-14-13-5(11)17-6/h1-3H2,(H2,11,13)(H,12,15).
What are the key properties of N-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide?
N-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide has a molecular weight of 286.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 71917031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).