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

C21H20N6O2S — CID 53187298

IUPACN-(furan-2-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(c2nc3ccc(-c4cncnc4)nc3s2)CC1
InChIInChI=1S/C21H20N6O2S/c28-19(24-12-16-2-1-9-29-16)14-5-7-27(8-6-14)21-26-18-4-3-17(25-20(18)30-21)15-10-22-13-23-11-15/h1-4,9-11,13-14H,5-8,12H2,(H,24,28)
InChIKeyZEVXLYZFEBREAZ-UHFFFAOYSA-N
MW420.50 g/mol
LogP3.27
Rot. Bonds5

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

N-(furan-2-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (PubChem CID 53187298) has the molecular formula C21H20N6O2S and a molecular weight of 420.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
PubChem CID53187298
Molecular FormulaC21H20N6O2S
Molecular Weight420.50 g/mol
Exact Mass420.14
IUPAC NameN-(furan-2-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(c2nc3ccc(-c4cncnc4)nc3s2)CC1
InChIInChI=1S/C21H20N6O2S/c28-19(24-12-16-2-1-9-29-16)14-5-7-27(8-6-14)21-26-18-4-3-17(25-20(18)30-21)15-10-22-13-23-11-15/h1-4,9-11,13-14H,5-8,12H2,(H,24,28)
InChIKeyZEVXLYZFEBREAZ-UHFFFAOYSA-N
XLogP3.27
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (CID 53187298) is N-(furan-2-ylmethyl)-1-(5-pyrimidin-5-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-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is O=C(NCc1ccco1)C1CCN(c2nc3ccc(-c4cncnc4)nc3s2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The InChIKey is ZEVXLYZFEBREAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2S/c28-19(24-12-16-2-1-9-29-16)14-5-7-27(8-6-14)21-26-18-4-3-17(25-20(18)30-21)15-10-22-13-23-11-15/h1-4,9-11,13-14H,5-8,12H2,(H,24,28).
What are the key properties of N-(furan-2-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
N-(furan-2-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide has a molecular weight of 420.50 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53187298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).