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

C18H20N4O2S — CID 20952048

IUPACN-[(5-methylfuran-2-yl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3nc4cccnc4s3)CC2)o1
InChIInChI=1S/C18H20N4O2S/c1-12-4-5-14(24-12)11-20-16(23)13-6-9-22(10-7-13)18-21-15-3-2-8-19-17(15)25-18/h2-5,8,13H,6-7,9-11H2,1H3,(H,20,23)
InChIKeyKPABUVDYAUPCSF-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.13
Rot. Bonds4

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

N-[(5-methylfuran-2-yl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (PubChem CID 20952048) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
PubChem CID20952048
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3nc4cccnc4s3)CC2)o1
InChIInChI=1S/C18H20N4O2S/c1-12-4-5-14(24-12)11-20-16(23)13-6-9-22(10-7-13)18-21-15-3-2-8-19-17(15)25-18/h2-5,8,13H,6-7,9-11H2,1H3,(H,20,23)
InChIKeyKPABUVDYAUPCSF-UHFFFAOYSA-N
XLogP3.13
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (CID 20952048) is N-[(5-methylfuran-2-yl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(c3nc4cccnc4s3)CC2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The InChIKey is KPABUVDYAUPCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-12-4-5-14(24-12)11-20-16(23)13-6-9-22(10-7-13)18-21-15-3-2-8-19-17(15)25-18/h2-5,8,13H,6-7,9-11H2,1H3,(H,20,23).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20952048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).