1-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1,4-dicarboxamide

C19H23N5O4S — CID 164738811

IUPAC1-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1,4-dicarboxamide
SMILESCOc1ncc(C2=CCOCC2)c2sc(NC(=O)N3CCC(C(N)=O)CC3)nc12
InChIInChI=1S/C19H23N5O4S/c1-27-17-14-15(13(10-21-17)11-4-8-28-9-5-11)29-18(22-14)23-19(26)24-6-2-12(3-7-24)16(20)25/h4,10,12H,2-3,5-9H2,1H3,(H2,20,25)(H,22,23,26)
InChIKeyOMFJKOVEJYOLHH-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.23
Rot. Bonds4

About 1-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1,4-dicarboxamide

1-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1,4-dicarboxamide (PubChem CID 164738811) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 1-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1,4-dicarboxamide
PubChem CID164738811
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name1-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1,4-dicarboxamide
SMILESCOc1ncc(C2=CCOCC2)c2sc(NC(=O)N3CCC(C(N)=O)CC3)nc12
InChIInChI=1S/C19H23N5O4S/c1-27-17-14-15(13(10-21-17)11-4-8-28-9-5-11)29-18(22-14)23-19(26)24-6-2-12(3-7-24)16(20)25/h4,10,12H,2-3,5-9H2,1H3,(H2,20,25)(H,22,23,26)
InChIKeyOMFJKOVEJYOLHH-UHFFFAOYSA-N
XLogP2.23
TPSA119.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1,4-dicarboxamide (CID 164738811) is 1-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1,4-dicarboxamide is COc1ncc(C2=CCOCC2)c2sc(NC(=O)N3CCC(C(N)=O)CC3)nc12.
What is the InChIKey of 1-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1,4-dicarboxamide?
The InChIKey is OMFJKOVEJYOLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-27-17-14-15(13(10-21-17)11-4-8-28-9-5-11)29-18(22-14)23-19(26)24-6-2-12(3-7-24)16(20)25/h4,10,12H,2-3,5-9H2,1H3,(H2,20,25)(H,22,23,26).
What are the key properties of 1-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1,4-dicarboxamide?
1-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1,4-dicarboxamide has a molecular weight of 417.49 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 164738811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).