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

C20H22N4O2S — CID 53187197

IUPAC1-[5-(4-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc3ccc(-c4ccc(OC)cc4)nc3s2)CC1
InChIInChI=1S/C20H22N4O2S/c1-21-18(25)14-9-11-24(12-10-14)20-23-17-8-7-16(22-19(17)27-20)13-3-5-15(26-2)6-4-13/h3-8,14H,9-12H2,1-2H3,(H,21,25)
InChIKeyREADHXCPCURZHK-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.33
Rot. Bonds4

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

1-[5-(4-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 53187197) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-methylpiperidine-4-carboxamide
PubChem CID53187197
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name1-[5-(4-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc3ccc(-c4ccc(OC)cc4)nc3s2)CC1
InChIInChI=1S/C20H22N4O2S/c1-21-18(25)14-9-11-24(12-10-14)20-23-17-8-7-16(22-19(17)27-20)13-3-5-15(26-2)6-4-13/h3-8,14H,9-12H2,1-2H3,(H,21,25)
InChIKeyREADHXCPCURZHK-UHFFFAOYSA-N
XLogP3.33
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 53187296
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide
CID 71802530
5-(4-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 46245149
N-ethyl-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
CID 53187270
N-[2-(dimethylamino)ethyl]-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
CID 53187277
N-pentan-3-yl-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 53187286
N-[3-(dimethylamino)propyl]-1-(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 53187253
N,N-diethyl-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
CID 53187274
N-methoxy-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611632
1-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43815632
1-(1,3-benzothiazol-2-yl)-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 3222659
N,N-dimethyl-1-(5-thiophen-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 53187352

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-methylpiperidine-4-carboxamide (CID 53187197) is 1-[5-(4-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2nc3ccc(-c4ccc(OC)cc4)nc3s2)CC1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is READHXCPCURZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-21-18(25)14-9-11-24(12-10-14)20-23-17-8-7-16(22-19(17)27-20)13-3-5-15(26-2)6-4-13/h3-8,14H,9-12H2,1-2H3,(H,21,25).
What are the key properties of 1-[5-(4-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-methylpiperidine-4-carboxamide?
1-[5-(4-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 53187197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).