5,5-dimethyl-3-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]ethyl]imidazolidine-2,4-dione

C14H14F3N5O2S — CID 38663002

IUPAC5,5-dimethyl-3-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCSc2nnc3ccc(C(F)(F)F)cn23)C1=O
InChIInChI=1S/C14H14F3N5O2S/c1-13(2)10(23)21(11(24)18-13)5-6-25-12-20-19-9-4-3-8(7-22(9)12)14(15,16)17/h3-4,7H,5-6H2,1-2H3,(H,18,24)
InChIKeyNAANFIKYVKMMJQ-UHFFFAOYSA-N
MW373.36 g/mol
LogP2.17
Rot. Bonds4

About 5,5-dimethyl-3-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]ethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]ethyl]imidazolidine-2,4-dione (PubChem CID 38663002) has the molecular formula C14H14F3N5O2S and a molecular weight of 373.36 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]ethyl]imidazolidine-2,4-dione
PubChem CID38663002
Molecular FormulaC14H14F3N5O2S
Molecular Weight373.36 g/mol
Exact Mass373.08
IUPAC Name5,5-dimethyl-3-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCSc2nnc3ccc(C(F)(F)F)cn23)C1=O
InChIInChI=1S/C14H14F3N5O2S/c1-13(2)10(23)21(11(24)18-13)5-6-25-12-20-19-9-4-3-8(7-22(9)12)14(15,16)17/h3-4,7H,5-6H2,1-2H3,(H,18,24)
InChIKeyNAANFIKYVKMMJQ-UHFFFAOYSA-N
XLogP2.17
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 5,5-dimethyl-3-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]ethyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]ethyl]imidazolidine-2,4-dione (CID 38663002) is 5,5-dimethyl-3-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]ethyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(CCSc2nnc3ccc(C(F)(F)F)cn23)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]ethyl]imidazolidine-2,4-dione?
The InChIKey is NAANFIKYVKMMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2S/c1-13(2)10(23)21(11(24)18-13)5-6-25-12-20-19-9-4-3-8(7-22(9)12)14(15,16)17/h3-4,7H,5-6H2,1-2H3,(H,18,24).
What are the key properties of 5,5-dimethyl-3-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]ethyl]imidazolidine-2,4-dione has a molecular weight of 373.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 38663002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).