[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)carbamate

C20H19F3N4O4S — CID 87456625

IUPAC[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)carbamate
SMILESCOc1ccnc2sc(NC(=O)ON3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)nc12
InChIInChI=1S/C20H19F3N4O4S/c1-30-14-5-8-24-16-15(14)25-17(32-16)26-18(28)31-27-9-6-19(29,7-10-27)12-3-2-4-13(11-12)20(21,22)23/h2-5,8,11,29H,6-7,9-10H2,1H3,(H,25,26,28)
InChIKeyNYGMXFGIMHUZIQ-UHFFFAOYSA-N
MW468.46 g/mol
LogP4.17
Rot. Bonds4

About [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)carbamate

[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)carbamate (PubChem CID 87456625) has the molecular formula C20H19F3N4O4S and a molecular weight of 468.46 g/mol. Its IUPAC name is [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)carbamate.

Molecular Properties

Compound Name[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)carbamate
PubChem CID87456625
Molecular FormulaC20H19F3N4O4S
Molecular Weight468.46 g/mol
Exact Mass468.11
IUPAC Name[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)carbamate
SMILESCOc1ccnc2sc(NC(=O)ON3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)nc12
InChIInChI=1S/C20H19F3N4O4S/c1-30-14-5-8-24-16-15(14)25-17(32-16)26-18(28)31-27-9-6-19(29,7-10-27)12-3-2-4-13(11-12)20(21,22)23/h2-5,8,11,29H,6-7,9-10H2,1H3,(H,25,26,28)
InChIKeyNYGMXFGIMHUZIQ-UHFFFAOYSA-N
XLogP4.17
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)carbamate 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 [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)carbamate?
The IUPAC name of [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)carbamate (CID 87456625) is [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)carbamate.
What is the SMILES notation for [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)carbamate?
The canonical SMILES for [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)carbamate is COc1ccnc2sc(NC(=O)ON3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)nc12.
What is the InChIKey of [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)carbamate?
The InChIKey is NYGMXFGIMHUZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O4S/c1-30-14-5-8-24-16-15(14)25-17(32-16)26-18(28)31-27-9-6-19(29,7-10-27)12-3-2-4-13(11-12)20(21,22)23/h2-5,8,11,29H,6-7,9-10H2,1H3,(H,25,26,28).
What are the key properties of [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)carbamate?
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)carbamate has a molecular weight of 468.46 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)carbamate is sourced from PubChem (CID 87456625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).