(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone

C18H23N3O2S — CID 126872700

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(COc3ncccc3C)CC2)s1
InChIInChI=1S/C18H23N3O2S/c1-12-5-4-8-19-17(12)23-11-15-6-9-21(10-7-15)18(22)16-13(2)20-14(3)24-16/h4-5,8,15H,6-7,9-11H2,1-3H3
InChIKeyQBZNDZADQUUOOQ-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.39
Rot. Bonds4

About (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone (PubChem CID 126872700) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone
PubChem CID126872700
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(COc3ncccc3C)CC2)s1
InChIInChI=1S/C18H23N3O2S/c1-12-5-4-8-19-17(12)23-11-15-6-9-21(10-7-15)18(22)16-13(2)20-14(3)24-16/h4-5,8,15H,6-7,9-11H2,1-3H3
InChIKeyQBZNDZADQUUOOQ-UHFFFAOYSA-N
XLogP3.39
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

cyclopropyl-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone
CID 126872697
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 103807604
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493668
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone
CID 134161035
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 55481734
(2,4-dimethyl-1,3-thiazol-5-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581415
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 103887558
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100621693
2-[1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119177890
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 119625359
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889178
2-cyclopropyl-5-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
CID 126872877

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone (CID 126872700) is (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCC(COc3ncccc3C)CC2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone?
The InChIKey is QBZNDZADQUUOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-5-4-8-19-17(12)23-11-15-6-9-21(10-7-15)18(22)16-13(2)20-14(3)24-16/h4-5,8,15H,6-7,9-11H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone has a molecular weight of 345.47 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 126872700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).