2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethoxy]phenoxy]-[1,3]thiazolo[4,5-c]pyridine

C19H19F3N4O2S — CID 58325843

IUPAC2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethoxy]phenoxy]-[1,3]thiazolo[4,5-c]pyridine
SMILESFC(F)(F)N1CCN(CCOc2ccc(Oc3nc4cnccc4s3)cc2)CC1
InChIInChI=1S/C19H19F3N4O2S/c20-19(21,22)26-9-7-25(8-10-26)11-12-27-14-1-3-15(4-2-14)28-18-24-16-13-23-6-5-17(16)29-18/h1-6,13H,7-12H2
InChIKeyOCKIHTQTCMSUMH-UHFFFAOYSA-N
MW424.45 g/mol
LogP4.00
Rot. Bonds6

About 2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethoxy]phenoxy]-[1,3]thiazolo[4,5-c]pyridine

2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethoxy]phenoxy]-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 58325843) has the molecular formula C19H19F3N4O2S and a molecular weight of 424.45 g/mol. Its IUPAC name is 2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethoxy]phenoxy]-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethoxy]phenoxy]-[1,3]thiazolo[4,5-c]pyridine
PubChem CID58325843
Molecular FormulaC19H19F3N4O2S
Molecular Weight424.45 g/mol
Exact Mass424.12
IUPAC Name2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethoxy]phenoxy]-[1,3]thiazolo[4,5-c]pyridine
SMILESFC(F)(F)N1CCN(CCOc2ccc(Oc3nc4cnccc4s3)cc2)CC1
InChIInChI=1S/C19H19F3N4O2S/c20-19(21,22)26-9-7-25(8-10-26)11-12-27-14-1-3-15(4-2-14)28-18-24-16-13-23-6-5-17(16)29-18/h1-6,13H,7-12H2
InChIKeyOCKIHTQTCMSUMH-UHFFFAOYSA-N
XLogP4.00
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethoxy]phenoxy]-[1,3]thiazolo[4,5-c]pyridine 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 2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethoxy]phenoxy]-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethoxy]phenoxy]-[1,3]thiazolo[4,5-c]pyridine (CID 58325843) is 2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethoxy]phenoxy]-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethoxy]phenoxy]-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethoxy]phenoxy]-[1,3]thiazolo[4,5-c]pyridine is FC(F)(F)N1CCN(CCOc2ccc(Oc3nc4cnccc4s3)cc2)CC1.
What is the InChIKey of 2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethoxy]phenoxy]-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is OCKIHTQTCMSUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2S/c20-19(21,22)26-9-7-25(8-10-26)11-12-27-14-1-3-15(4-2-14)28-18-24-16-13-23-6-5-17(16)29-18/h1-6,13H,7-12H2.
What are the key properties of 2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethoxy]phenoxy]-[1,3]thiazolo[4,5-c]pyridine?
2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethoxy]phenoxy]-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 424.45 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethoxy]phenoxy]-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 58325843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).