[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone

C17H21N3O2S — CID 95767995

IUPAC[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCCc1csc([C@H]2CCCN(C(=O)c3cccnc3OC)C2)n1
InChIInChI=1S/C17H21N3O2S/c1-3-13-11-23-16(19-13)12-6-5-9-20(10-12)17(21)14-7-4-8-18-15(14)22-2/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyFAQYKGXBMUPFNF-LBPRGKRZSA-N
MW331.44 g/mol
LogP3.13
Rot. Bonds4

About [(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone

[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (PubChem CID 95767995) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is [(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
PubChem CID95767995
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCCc1csc([C@H]2CCCN(C(=O)c3cccnc3OC)C2)n1
InChIInChI=1S/C17H21N3O2S/c1-3-13-11-23-16(19-13)12-6-5-9-20(10-12)17(21)14-7-4-8-18-15(14)22-2/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyFAQYKGXBMUPFNF-LBPRGKRZSA-N
XLogP3.13
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone with MolForge

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Related Compounds

(2-aminophenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119946973
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 95773881
(2-methoxy-3-pyridinyl)-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 124967355
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 95768051
[3-(bromomethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 80660116
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
(2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124942438
(2-methoxy-3-pyridinyl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 110114882
(5-amino-2-methylphenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 120645991
1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 95767942
[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 95767978
[(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 [(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of [(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (CID 95767995) is [(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is CCc1csc([C@H]2CCCN(C(=O)c3cccnc3OC)C2)n1.
What is the InChIKey of [(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is FAQYKGXBMUPFNF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-3-13-11-23-16(19-13)12-6-5-9-20(10-12)17(21)14-7-4-8-18-15(14)22-2/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of [(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 331.44 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 95767995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).