4-methyl-2-[[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazole

C15H20N4OS — CID 136551051

IUPAC4-methyl-2-[[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnc(OC2CCN(Cc3nc(C)cs3)CC2)nc1
InChIInChI=1S/C15H20N4OS/c1-11-7-16-15(17-8-11)20-13-3-5-19(6-4-13)9-14-18-12(2)10-21-14/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyUIWKVPFLLCPSGC-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.59
Rot. Bonds4

About 4-methyl-2-[[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazole

4-methyl-2-[[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 136551051) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-methyl-2-[[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazole
PubChem CID136551051
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-methyl-2-[[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnc(OC2CCN(Cc3nc(C)cs3)CC2)nc1
InChIInChI=1S/C15H20N4OS/c1-11-7-16-15(17-8-11)20-13-3-5-19(6-4-13)9-14-18-12(2)10-21-14/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyUIWKVPFLLCPSGC-UHFFFAOYSA-N
XLogP2.59
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazole (CID 136551051) is 4-methyl-2-[[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazole is Cc1cnc(OC2CCN(Cc3nc(C)cs3)CC2)nc1.
What is the InChIKey of 4-methyl-2-[[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is UIWKVPFLLCPSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11-7-16-15(17-8-11)20-13-3-5-19(6-4-13)9-14-18-12(2)10-21-14/h7-8,10,13H,3-6,9H2,1-2H3.
What are the key properties of 4-methyl-2-[[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazole?
4-methyl-2-[[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 304.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 136551051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).