(3-chloro-6-ethoxy-2-pyridinyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

C18H22ClN3O2S — CID 86946870

IUPAC(3-chloro-6-ethoxy-2-pyridinyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCCOc1ccc(Cl)c(C(=O)N2CCCC(c3nc(CC)cs3)C2)n1
InChIInChI=1S/C18H22ClN3O2S/c1-3-13-11-25-17(20-13)12-6-5-9-22(10-12)18(23)16-14(19)7-8-15(21-16)24-4-2/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyXCWYBHMIMUNACC-UHFFFAOYSA-N
MW379.91 g/mol
LogP4.17
Rot. Bonds5

About (3-chloro-6-ethoxy-2-pyridinyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

(3-chloro-6-ethoxy-2-pyridinyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 86946870) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is (3-chloro-6-ethoxy-2-pyridinyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-6-ethoxy-2-pyridinyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID86946870
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name(3-chloro-6-ethoxy-2-pyridinyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCCOc1ccc(Cl)c(C(=O)N2CCCC(c3nc(CC)cs3)C2)n1
InChIInChI=1S/C18H22ClN3O2S/c1-3-13-11-25-17(20-13)12-6-5-9-22(10-12)18(23)16-14(19)7-8-15(21-16)24-4-2/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyXCWYBHMIMUNACC-UHFFFAOYSA-N
XLogP4.17
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-chloro-6-ethoxy-2-pyridinyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 95773881
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 95768051
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
(2-aminophenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119946973
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 95767995
(1-aminocyclopentyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 75513789
5-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 95767983
[6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95768063
(5-amino-2-methylphenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 120645991
1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone
CID 95768087
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 95768025

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-ethoxy-2-pyridinyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-6-ethoxy-2-pyridinyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 86946870) is (3-chloro-6-ethoxy-2-pyridinyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-6-ethoxy-2-pyridinyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-6-ethoxy-2-pyridinyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is CCOc1ccc(Cl)c(C(=O)N2CCCC(c3nc(CC)cs3)C2)n1.
What is the InChIKey of (3-chloro-6-ethoxy-2-pyridinyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is XCWYBHMIMUNACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2S/c1-3-13-11-25-17(20-13)12-6-5-9-22(10-12)18(23)16-14(19)7-8-15(21-16)24-4-2/h7-8,11-12H,3-6,9-10H2,1-2H3.
What are the key properties of (3-chloro-6-ethoxy-2-pyridinyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(3-chloro-6-ethoxy-2-pyridinyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 379.91 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-ethoxy-2-pyridinyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 86946870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).