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

C22H21N5O2S — CID 53187362

IUPACN-(furan-2-ylmethyl)-1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(c2nc3ccc(-c4ccncc4)nc3s2)CC1
InChIInChI=1S/C22H21N5O2S/c28-20(24-14-17-2-1-13-29-17)16-7-11-27(12-8-16)22-26-19-4-3-18(25-21(19)30-22)15-5-9-23-10-6-15/h1-6,9-10,13,16H,7-8,11-12,14H2,(H,24,28)
InChIKeyHAQKYXQKPXWGRG-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.88
Rot. Bonds5

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

N-(furan-2-ylmethyl)-1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (PubChem CID 53187362) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
PubChem CID53187362
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC NameN-(furan-2-ylmethyl)-1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(c2nc3ccc(-c4ccncc4)nc3s2)CC1
InChIInChI=1S/C22H21N5O2S/c28-20(24-14-17-2-1-13-29-17)16-7-11-27(12-8-16)22-26-19-4-3-18(25-21(19)30-22)15-5-9-23-10-6-15/h1-6,9-10,13,16H,7-8,11-12,14H2,(H,24,28)
InChIKeyHAQKYXQKPXWGRG-UHFFFAOYSA-N
XLogP3.88
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 43815642
N-(pyridin-3-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 53187293
N-ethyl-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
CID 53187270
N-(furan-2-ylmethyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906863
N-[3-(dimethylamino)propyl]-1-(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 53187253
N-[2-(dimethylamino)ethyl]-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
CID 53187277
1-[5-(4-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-methylpiperidine-4-carboxamide
CID 53187197
N-pentan-3-yl-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 53187286
piperidin-1-yl-[1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 53187334
N-(furan-2-ylmethyl)-1-pyridin-4-ylpiperidine-3-carboxamide
CID 20973198
N-(furan-2-ylmethyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165720
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (CID 53187362) is N-(furan-2-ylmethyl)-1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is O=C(NCc1ccco1)C1CCN(c2nc3ccc(-c4ccncc4)nc3s2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The InChIKey is HAQKYXQKPXWGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c28-20(24-14-17-2-1-13-29-17)16-7-11-27(12-8-16)22-26-19-4-3-18(25-21(19)30-22)15-5-9-23-10-6-15/h1-6,9-10,13,16H,7-8,11-12,14H2,(H,24,28).
What are the key properties of N-(furan-2-ylmethyl)-1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
N-(furan-2-ylmethyl)-1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53187362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).