2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C13H13F3N4OS — CID 4779650

IUPAC2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESNn1cc(-c2ccccc2)nc1SCC(=O)NCC(F)(F)F
InChIInChI=1S/C13H13F3N4OS/c14-13(15,16)8-18-11(21)7-22-12-19-10(6-20(12)17)9-4-2-1-3-5-9/h1-6H,7-8,17H2,(H,18,21)
InChIKeyGTLYGJKRSRTHQM-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.03
Rot. Bonds5

About 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 4779650) has the molecular formula C13H13F3N4OS and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID4779650
Molecular FormulaC13H13F3N4OS
Molecular Weight330.34 g/mol
Exact Mass330.08
IUPAC Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESNn1cc(-c2ccccc2)nc1SCC(=O)NCC(F)(F)F
InChIInChI=1S/C13H13F3N4OS/c14-13(15,16)8-18-11(21)7-22-12-19-10(6-20(12)17)9-4-2-1-3-5-9/h1-6H,7-8,17H2,(H,18,21)
InChIKeyGTLYGJKRSRTHQM-UHFFFAOYSA-N
XLogP2.03
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 4779650) is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is Nn1cc(-c2ccccc2)nc1SCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GTLYGJKRSRTHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4OS/c14-13(15,16)8-18-11(21)7-22-12-19-10(6-20(12)17)9-4-2-1-3-5-9/h1-6H,7-8,17H2,(H,18,21).
What are the key properties of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 330.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 4779650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).