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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Related Compounds

2-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
CID 163356963
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 163345455
3-cyclopropyl-1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
CID 154853548
2-(2-methoxyphenyl)-5-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]-1,3,4-thiadiazole
CID 154882964
4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
CID 163356545
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
CID 165433565
4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
CID 126910867
1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947907
N-ethyl-4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155976450
3-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943782
2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 126895263
4-[4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 155981287

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).