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

C17H22N4O2S — CID 122268109

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESCCc1cnc(OC2CCCN(C(=O)c3sc(C)nc3C)C2)nc1
InChIInChI=1S/C17H22N4O2S/c1-4-13-8-18-17(19-9-13)23-14-6-5-7-21(10-14)16(22)15-11(2)20-12(3)24-15/h8-9,14H,4-7,10H2,1-3H3
InChIKeyRMLZTCHQMLAASM-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.80
Rot. Bonds4

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

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone (PubChem CID 122268109) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
PubChem CID122268109
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESCCc1cnc(OC2CCCN(C(=O)c3sc(C)nc3C)C2)nc1
InChIInChI=1S/C17H22N4O2S/c1-4-13-8-18-17(19-9-13)23-14-6-5-7-21(10-14)16(22)15-11(2)20-12(3)24-15/h8-9,14H,4-7,10H2,1-3H3
InChIKeyRMLZTCHQMLAASM-UHFFFAOYSA-N
XLogP2.80
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone with MolForge

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Related Compounds

[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 122268155
1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone
CID 122268269
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 122268128
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone
CID 122268002
(2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268032
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 121017568
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-phenylphenyl)methanone
CID 122268048
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 122268274
N-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268290
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-quinolin-2-ylmethanone
CID 122267966
(2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 91627672
(3,4-dimethoxyphenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268015

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone (CID 122268109) is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone is CCc1cnc(OC2CCCN(C(=O)c3sc(C)nc3C)C2)nc1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The InChIKey is RMLZTCHQMLAASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-4-13-8-18-17(19-9-13)23-14-6-5-7-21(10-14)16(22)15-11(2)20-12(3)24-15/h8-9,14H,4-7,10H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone has a molecular weight of 346.46 g/mol, XLogP of 2.80, 4 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-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 122268109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).