(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone

C15H17FN4O2S — CID 122160233

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)s1
InChIInChI=1S/C15H17FN4O2S/c1-9-13(23-10(2)19-9)14(21)20-5-3-4-12(8-20)22-15-17-6-11(16)7-18-15/h6-7,12H,3-5,8H2,1-2H3
InChIKeyBVGIOCYQLMWZCF-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.37
Rot. Bonds3

About (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone (PubChem CID 122160233) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
PubChem CID122160233
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)s1
InChIInChI=1S/C15H17FN4O2S/c1-9-13(23-10(2)19-9)14(21)20-5-3-4-12(8-20)22-15-17-6-11(16)7-18-15/h6-7,12H,3-5,8H2,1-2H3
InChIKeyBVGIOCYQLMWZCF-UHFFFAOYSA-N
XLogP2.37
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone (CID 122160233) is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The InChIKey is BVGIOCYQLMWZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c1-9-13(23-10(2)19-9)14(21)20-5-3-4-12(8-20)22-15-17-6-11(16)7-18-15/h6-7,12H,3-5,8H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone has a molecular weight of 336.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 122160233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).