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

C6H7F3N4OS2 — CID 17393461

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1nnc(SCC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C6H7F3N4OS2/c7-6(8,9)2-11-3(14)1-15-5-13-12-4(10)16-5/h1-2H2,(H2,10,12)(H,11,14)
InChIKeyKUZQKIMOXWNCSM-UHFFFAOYSA-N
MW272.28 g/mol
LogP0.89
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 17393461) has the molecular formula C6H7F3N4OS2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID17393461
Molecular FormulaC6H7F3N4OS2
Molecular Weight272.28 g/mol
Exact Mass272.00
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1nnc(SCC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C6H7F3N4OS2/c7-6(8,9)2-11-3(14)1-15-5-13-12-4(10)16-5/h1-2H2,(H2,10,12)(H,11,14)
InChIKeyKUZQKIMOXWNCSM-UHFFFAOYSA-N
XLogP0.89
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8674648
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide
CID 4805002
methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 7784001
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 30580573
(2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide
CID 9199588
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(difluoromethyl)phenyl]acetamide
CID 5217313
N-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide
CID 71917031
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2R)-pentan-2-yl]acetamide
CID 40629979
N-[[3-acetamido-5-[[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]methyl]-2,4,6-trimethylphenyl]methyl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 51066194
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide
CID 30687916
N-(1-adamantyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 1301353
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-[[4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]disulfanyl]phenyl]acetamide
CID 17324841

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 17393461) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide is Nc1nnc(SCC(=O)NCC(F)(F)F)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KUZQKIMOXWNCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4OS2/c7-6(8,9)2-11-3(14)1-15-5-13-12-4(10)16-5/h1-2H2,(H2,10,12)(H,11,14).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 272.28 g/mol, XLogP of 0.89, 4 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-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 17393461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).