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

C20H22N4O2S — CID 20952037

IUPACN-[(2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(c2nc3cccnc3s2)CC1
InChIInChI=1S/C20H22N4O2S/c1-26-17-7-3-2-5-15(17)13-22-18(25)14-8-11-24(12-9-14)20-23-16-6-4-10-21-19(16)27-20/h2-7,10,14H,8-9,11-13H2,1H3,(H,22,25)
InChIKeyFWPYSKNAUFDSSJ-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.23
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (PubChem CID 20952037) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
PubChem CID20952037
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(c2nc3cccnc3s2)CC1
InChIInChI=1S/C20H22N4O2S/c1-26-17-7-3-2-5-15(17)13-22-18(25)14-8-11-24(12-9-14)20-23-16-6-4-10-21-19(16)27-20/h2-7,10,14H,8-9,11-13H2,1H3,(H,22,25)
InChIKeyFWPYSKNAUFDSSJ-UHFFFAOYSA-N
XLogP3.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-{5-[2-(Morpholin-4-Yl)ethoxy]-6-(Pyridin-3-Yl)[1,3]thiazolo[5,4-B]pyridin-2-Yl}-3-Prop-2-En-1-Ylurea
CID 59352802
N-(2-aminoethyl)-4-(2-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093435
N-(6-methoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032473
1-[[4-([1,3]Thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidine-4-carboxamide
CID 44481854
2-(1,4''-Bipiperidin-1''-yl)-6-(3-methoxyphenyl)thiazolo[4,5-c]pyridine
CID 45482774
N-(1-(3-ethoxy-4-methoxybenzyl)piperidin-4-yl)thiazolo[5,4-b]pyridin-2-amine
CID 46882517
1-[2-[4-([1,3]Thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide
CID 57448281
1-Ethyl-3-[6-(6-fluoro-3-pyridyl)-5-(tetrahydrofuran-3-ylmethoxy)thiazolo[5,4-b]pyridin-2-yl]urea
CID 59352798
1-Ethyl-3-(5-methoxy-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
CID 59352810
1-Ethyl-3-[6-(3-pyridyl)-5-(tetrahydrofuran-3-ylmethoxy)thiazolo[5,4-b]pyridin-2-yl]urea
CID 59352812
1-Allyl-3-[5-(2-methoxyethoxy)-6-(3-pyridyl)thiazolo[5,4-b]pyridin-2-yl]urea
CID 59352819
1-Ethyl-3-[5-(2-methoxyethoxy)-6-(3-pyridyl)thiazolo[5,4-b]pyridin-2-yl]urea
CID 59352825

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (CID 20952037) is N-[(2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is COc1ccccc1CNC(=O)C1CCN(c2nc3cccnc3s2)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The InChIKey is FWPYSKNAUFDSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-26-17-7-3-2-5-15(17)13-22-18(25)14-8-11-24(12-9-14)20-23-16-6-4-10-21-19(16)27-20/h2-7,10,14H,8-9,11-13H2,1H3,(H,22,25).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20952037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).