2-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole

C16H17N5OS — CID 163344407

IUPAC2-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
SMILESCc1nc(N2CCC(Oc3nccs3)CC2)c2ccncc2n1
InChIInChI=1S/C16H17N5OS/c1-11-19-14-10-17-5-2-13(14)15(20-11)21-7-3-12(4-8-21)22-16-18-6-9-23-16/h2,5-6,9-10,12H,3-4,7-8H2,1H3
InChIKeyYBNZBASCNPJPRJ-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.84
Rot. Bonds3

About 2-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole

2-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole (PubChem CID 163344407) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
PubChem CID163344407
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
SMILESCc1nc(N2CCC(Oc3nccs3)CC2)c2ccncc2n1
InChIInChI=1S/C16H17N5OS/c1-11-19-14-10-17-5-2-13(14)15(20-11)21-7-3-12(4-8-21)22-16-18-6-9-23-16/h2,5-6,9-10,12H,3-4,7-8H2,1H3
InChIKeyYBNZBASCNPJPRJ-UHFFFAOYSA-N
XLogP2.84
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole (CID 163344407) is 2-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole is Cc1nc(N2CCC(Oc3nccs3)CC2)c2ccncc2n1.
What is the InChIKey of 2-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole?
The InChIKey is YBNZBASCNPJPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-11-19-14-10-17-5-2-13(14)15(20-11)21-7-3-12(4-8-21)22-16-18-6-9-23-16/h2,5-6,9-10,12H,3-4,7-8H2,1H3.
What are the key properties of 2-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole?
2-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole has a molecular weight of 327.41 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole is sourced from PubChem (CID 163344407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).