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

C20H19F3N4O3S — CID 24830615

IUPAC4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCOc1ccnc2sc(NC(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)nc12
InChIInChI=1S/C20H19F3N4O3S/c1-30-14-5-8-24-16-15(14)25-17(31-16)26-18(28)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)
InChIKeyMQRBWALRLGFHSO-UHFFFAOYSA-N
MW452.46 g/mol
LogP4.23
Rot. Bonds3

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

4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 24830615) has the molecular formula C20H19F3N4O3S and a molecular weight of 452.46 g/mol. Its IUPAC name is 4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID24830615
Molecular FormulaC20H19F3N4O3S
Molecular Weight452.46 g/mol
Exact Mass452.11
IUPAC Name4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCOc1ccnc2sc(NC(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)nc12
InChIInChI=1S/C20H19F3N4O3S/c1-30-14-5-8-24-16-15(14)25-17(31-16)26-18(28)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)
InChIKeyMQRBWALRLGFHSO-UHFFFAOYSA-N
XLogP4.23
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 24830615) is 4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is COc1ccnc2sc(NC(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)nc12.
What is the InChIKey of 4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is MQRBWALRLGFHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3S/c1-30-14-5-8-24-16-15(14)25-17(31-16)26-18(28)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-N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 452.46 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 24830615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).