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

C20H22N4O3S — CID 142524362

IUPAC4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide
SMILESCOc1ncc(-c2ccccc2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12
InChIInChI=1S/C20H22N4O3S/c1-20(26)8-10-24(11-9-20)19(25)23-18-22-15-16(28-18)14(12-21-17(15)27-2)13-6-4-3-5-7-13/h3-7,12,26H,8-11H2,1-2H3,(H,22,23,25)
InChIKeyJDGZASIHFBWZND-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.75
Rot. Bonds3

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

4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide (PubChem CID 142524362) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide
PubChem CID142524362
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide
SMILESCOc1ncc(-c2ccccc2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12
InChIInChI=1S/C20H22N4O3S/c1-20(26)8-10-24(11-9-20)19(25)23-18-22-15-16(28-18)14(12-21-17(15)27-2)13-6-4-3-5-7-13/h3-7,12,26H,8-11H2,1-2H3,(H,22,23,25)
InChIKeyJDGZASIHFBWZND-UHFFFAOYSA-N
XLogP3.75
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide (CID 142524362) is 4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide is COc1ncc(-c2ccccc2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12.
What is the InChIKey of 4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide?
The InChIKey is JDGZASIHFBWZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-20(26)8-10-24(11-9-20)19(25)23-18-22-15-16(28-18)14(12-21-17(15)27-2)13-6-4-3-5-7-13/h3-7,12,26H,8-11H2,1-2H3,(H,22,23,25).
What are the key properties of 4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide?
4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 142524362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).