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

C8H10F3N5O2S2 — CID 9308420

IUPAC2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCNc1nnc(SCC(=O)NC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C8H10F3N5O2S2/c1-12-6-15-16-7(20-6)19-2-4(17)14-5(18)13-3-8(9,10)11/h2-3H2,1H3,(H,12,15)(H2,13,14,17,18)
InChIKeyVCRCBVIUVUGVNS-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.06
Rot. Bonds5

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

2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 9308420) has the molecular formula C8H10F3N5O2S2 and a molecular weight of 329.33 g/mol. Its IUPAC name is 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID9308420
Molecular FormulaC8H10F3N5O2S2
Molecular Weight329.33 g/mol
Exact Mass329.02
IUPAC Name2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCNc1nnc(SCC(=O)NC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C8H10F3N5O2S2/c1-12-6-15-16-7(20-6)19-2-4(17)14-5(18)13-3-8(9,10)11/h2-3H2,1H3,(H,12,15)(H2,13,14,17,18)
InChIKeyVCRCBVIUVUGVNS-UHFFFAOYSA-N
XLogP1.06
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 9308420) is 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is CNc1nnc(SCC(=O)NC(=O)NCC(F)(F)F)s1.
What is the InChIKey of 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is VCRCBVIUVUGVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N5O2S2/c1-12-6-15-16-7(20-6)19-2-4(17)14-5(18)13-3-8(9,10)11/h2-3H2,1H3,(H,12,15)(H2,13,14,17,18).
What are the key properties of 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 329.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 9308420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).