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

C17H20N6OS — CID 154853735

IUPAC5-methyl-2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]-1,3-thiazole
SMILESCc1cnc(N2CCC(Oc3ncc(-c4cnn(C)c4)cn3)CC2)s1
InChIInChI=1S/C17H20N6OS/c1-12-7-20-17(25-12)23-5-3-15(4-6-23)24-16-18-8-13(9-19-16)14-10-21-22(2)11-14/h7-11,15H,3-6H2,1-2H3
InChIKeyPFMWYWFUFCVJKE-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.69
Rot. Bonds4

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

5-methyl-2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]-1,3-thiazole (PubChem CID 154853735) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 5-methyl-2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]-1,3-thiazole
PubChem CID154853735
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name5-methyl-2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]-1,3-thiazole
SMILESCc1cnc(N2CCC(Oc3ncc(-c4cnn(C)c4)cn3)CC2)s1
InChIInChI=1S/C17H20N6OS/c1-12-7-20-17(25-12)23-5-3-15(4-6-23)24-16-18-8-13(9-19-16)14-10-21-22(2)11-14/h7-11,15H,3-6H2,1-2H3
InChIKeyPFMWYWFUFCVJKE-UHFFFAOYSA-N
XLogP2.69
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]-1,3-thiazole?
The IUPAC name of 5-methyl-2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]-1,3-thiazole (CID 154853735) is 5-methyl-2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 5-methyl-2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]-1,3-thiazole is Cc1cnc(N2CCC(Oc3ncc(-c4cnn(C)c4)cn3)CC2)s1.
What is the InChIKey of 5-methyl-2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]-1,3-thiazole?
The InChIKey is PFMWYWFUFCVJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-12-7-20-17(25-12)23-5-3-15(4-6-23)24-16-18-8-13(9-19-16)14-10-21-22(2)11-14/h7-11,15H,3-6H2,1-2H3.
What are the key properties of 5-methyl-2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]-1,3-thiazole?
5-methyl-2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]-1,3-thiazole has a molecular weight of 356.46 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 154853735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).