2-[(7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide

C19H16F3N5OS — CID 18569860

IUPAC2-[(7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nnc2n1CCN2c1ccccc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F3N5OS/c20-19(21,22)14-8-4-5-9-15(14)23-16(28)12-29-18-25-24-17-26(10-11-27(17)18)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,23,28)
InChIKeyJNFIKOXUNJOVSM-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.18
Rot. Bonds5

About 2-[(7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[(7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 18569860) has the molecular formula C19H16F3N5OS and a molecular weight of 419.43 g/mol. Its IUPAC name is 2-[(7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID18569860
Molecular FormulaC19H16F3N5OS
Molecular Weight419.43 g/mol
Exact Mass419.10
IUPAC Name2-[(7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nnc2n1CCN2c1ccccc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F3N5OS/c20-19(21,22)14-8-4-5-9-15(14)23-16(28)12-29-18-25-24-17-26(10-11-27(17)18)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,23,28)
InChIKeyJNFIKOXUNJOVSM-UHFFFAOYSA-N
XLogP4.18
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 18569860) is 2-[(7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CSc1nnc2n1CCN2c1ccccc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[(7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JNFIKOXUNJOVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5OS/c20-19(21,22)14-8-4-5-9-15(14)23-16(28)12-29-18-25-24-17-26(10-11-27(17)18)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,23,28).
What are the key properties of 2-[(7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[(7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 419.43 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 18569860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).