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

C10H12F3N5O2S2 — CID 17392168

IUPAC2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(CSc1nnc(NC2CC2)s1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C10H12F3N5O2S2/c11-10(12,13)4-14-7(20)16-6(19)3-21-9-18-17-8(22-9)15-5-1-2-5/h5H,1-4H2,(H,15,17)(H2,14,16,19,20)
InChIKeyHBOYZNCSFLIAER-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.59
Rot. Bonds6

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

2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 17392168) has the molecular formula C10H12F3N5O2S2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID17392168
Molecular FormulaC10H12F3N5O2S2
Molecular Weight355.37 g/mol
Exact Mass355.04
IUPAC Name2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(CSc1nnc(NC2CC2)s1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C10H12F3N5O2S2/c11-10(12,13)4-14-7(20)16-6(19)3-21-9-18-17-8(22-9)15-5-1-2-5/h5H,1-4H2,(H,15,17)(H2,14,16,19,20)
InChIKeyHBOYZNCSFLIAER-UHFFFAOYSA-N
XLogP1.59
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 17392168) is 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is O=C(CSc1nnc(NC2CC2)s1)NC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is HBOYZNCSFLIAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O2S2/c11-10(12,13)4-14-7(20)16-6(19)3-21-9-18-17-8(22-9)15-5-1-2-5/h5H,1-4H2,(H,15,17)(H2,14,16,19,20).
What are the key properties of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 355.37 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 17392168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).