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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Related Compounds

2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]quinoxaline
CID 154883270
2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine
CID 154830090
2-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine
CID 154853753
2-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine
CID 154883246
2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-methyl-1,3-thiazole
CID 166199646
6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 165432269
1,1,3-trimethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 166603326
3-[2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 154583961
5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 154580735
2-(4-cyclohexylpiperazin-1-yl)-5-methyl-1,3-thiazole
CID 171701816
4-methyl-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole
CID 70955018
4-ethyl-5-fluoro-6-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
CID 154582809

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).