2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide

C10H15F3N4O2S — CID 78759779

IUPAC2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOCCn1cnnc1SC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H15F3N4O2S/c1-7(8(18)14-5-10(11,12)13)20-9-16-15-6-17(9)3-4-19-2/h6-7H,3-5H2,1-2H3,(H,14,18)
InChIKeyXVIXZQMNFMUGPP-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.08
Rot. Bonds7

About 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide

2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78759779) has the molecular formula C10H15F3N4O2S and a molecular weight of 312.32 g/mol. Its IUPAC name is 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78759779
Molecular FormulaC10H15F3N4O2S
Molecular Weight312.32 g/mol
Exact Mass312.09
IUPAC Name2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOCCn1cnnc1SC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H15F3N4O2S/c1-7(8(18)14-5-10(11,12)13)20-9-16-15-6-17(9)3-4-19-2/h6-7H,3-5H2,1-2H3,(H,14,18)
InChIKeyXVIXZQMNFMUGPP-UHFFFAOYSA-N
XLogP1.08
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide (CID 78759779) is 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide is COCCn1cnnc1SC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is XVIXZQMNFMUGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2S/c1-7(8(18)14-5-10(11,12)13)20-9-16-15-6-17(9)3-4-19-2/h6-7H,3-5H2,1-2H3,(H,14,18).
What are the key properties of 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 312.32 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78759779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).