[(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C21H20ClN3OS — CID 95810181

IUPAC[(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C21H20ClN3OS/c1-14-20(27-13-23-14)21(26)25-10-4-6-16(12-25)19-9-3-8-18(24-19)15-5-2-7-17(22)11-15/h2-3,5,7-9,11,13,16H,4,6,10,12H2,1H3/t16-/m1/s1
InChIKeyPJMRJSNHJOQMJP-MRXNPFEDSA-N
MW397.93 g/mol
LogP5.19
Rot. Bonds3

About [(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 95810181) has the molecular formula C21H20ClN3OS and a molecular weight of 397.93 g/mol. Its IUPAC name is [(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID95810181
Molecular FormulaC21H20ClN3OS
Molecular Weight397.93 g/mol
Exact Mass397.10
IUPAC Name[(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C21H20ClN3OS/c1-14-20(27-13-23-14)21(26)25-10-4-6-16(12-25)19-9-3-8-18(24-19)15-5-2-7-17(22)11-15/h2-3,5,7-9,11,13,16H,4,6,10,12H2,1H3/t16-/m1/s1
InChIKeyPJMRJSNHJOQMJP-MRXNPFEDSA-N
XLogP5.19
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.93
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone with MolForge

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Related Compounds

3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 110249773
[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110089801
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819954
[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110249855
[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 110089800
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95819263
(4-methyl-1,3-thiazol-5-yl)-[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110268009
[(3S)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95819269
[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124965658
[3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110091843
[(3S)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95819273
(4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 125005367

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 95810181) is [(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1.
What is the InChIKey of [(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is PJMRJSNHJOQMJP-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20ClN3OS/c1-14-20(27-13-23-14)21(26)25-10-4-6-16(12-25)19-9-3-8-18(24-19)15-5-2-7-17(22)11-15/h2-3,5,7-9,11,13,16H,4,6,10,12H2,1H3/t16-/m1/s1.
What are the key properties of [(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 397.93 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 95810181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).