N-[(4-ethoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide

C21H24N4O2S — CID 20952098

IUPACN-[(4-ethoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCCOc1ccc(CNC(=O)C2CCN(c3nc4cccnc4s3)CC2)cc1
InChIInChI=1S/C21H24N4O2S/c1-2-27-17-7-5-15(6-8-17)14-23-19(26)16-9-12-25(13-10-16)21-24-18-4-3-11-22-20(18)28-21/h3-8,11,16H,2,9-10,12-14H2,1H3,(H,23,26)
InChIKeySGQXMNANEXGTIJ-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.62
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide

N-[(4-ethoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (PubChem CID 20952098) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
PubChem CID20952098
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-[(4-ethoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCCOc1ccc(CNC(=O)C2CCN(c3nc4cccnc4s3)CC2)cc1
InChIInChI=1S/C21H24N4O2S/c1-2-27-17-7-5-15(6-8-17)14-23-19(26)16-9-12-25(13-10-16)21-24-18-4-3-11-22-20(18)28-21/h3-8,11,16H,2,9-10,12-14H2,1H3,(H,23,26)
InChIKeySGQXMNANEXGTIJ-UHFFFAOYSA-N
XLogP3.62
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (CID 20952098) is N-[(4-ethoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is CCOc1ccc(CNC(=O)C2CCN(c3nc4cccnc4s3)CC2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The InChIKey is SGQXMNANEXGTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-2-27-17-7-5-15(6-8-17)14-23-19(26)16-9-12-25(13-10-16)21-24-18-4-3-11-22-20(18)28-21/h3-8,11,16H,2,9-10,12-14H2,1H3,(H,23,26).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
N-[(4-ethoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20952098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).