[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone

C21H26N4O3S — CID 3716711

IUPAC[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone
SMILESCc1ccc(C(=O)N2CCSC2)c(C2CCN(C(=O)c3c(C)noc3C)CC2)n1
InChIInChI=1S/C21H26N4O3S/c1-13-4-5-17(20(26)25-10-11-29-12-25)19(22-13)16-6-8-24(9-7-16)21(27)18-14(2)23-28-15(18)3/h4-5,16H,6-12H2,1-3H3
InChIKeyINMWXQNIHLRELP-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.16
Rot. Bonds3

About [2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone

[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone (PubChem CID 3716711) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is [2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone
PubChem CID3716711
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone
SMILESCc1ccc(C(=O)N2CCSC2)c(C2CCN(C(=O)c3c(C)noc3C)CC2)n1
InChIInChI=1S/C21H26N4O3S/c1-13-4-5-17(20(26)25-10-11-29-12-25)19(22-13)16-6-8-24(9-7-16)21(27)18-14(2)23-28-15(18)3/h4-5,16H,6-12H2,1-3H3
InChIKeyINMWXQNIHLRELP-UHFFFAOYSA-N
XLogP3.16
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3402659
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 3813184
5,5-dimethyl-4-[4-[6-methyl-3-(1,3-thiazolidine-3-carbonyl)-2-pyridinyl]piperidine-1-carbonyl]oxolan-2-one
CID 3314499
[2-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone
CID 3590270
(2-fluoro-4-nitrophenyl)-[4-[6-methyl-3-(1,3-thiazolidine-3-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 4999895
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-[6-methyl-3-(1,3-thiazolidine-3-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 3803524
1-[4-[6-methyl-3-(1,3-thiazolidine-3-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-(2-phenylethenylsulfanyl)ethanone
CID 4626580
N-[2-[4-[6-methyl-3-(1,3-thiazolidine-3-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 3863110
2-[4-(dimethylamino)phenyl]-1-[4-[6-methyl-3-(1,3-thiazolidine-3-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 3845117
[(1S)-2-[4-[6-methyl-3-(1,3-thiazolidine-3-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate
CID 74226934
(4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 46044756
[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 124967024

Frequently Asked Questions

What is the IUPAC name of [2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone?
The IUPAC name of [2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone (CID 3716711) is [2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for [2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for [2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone is Cc1ccc(C(=O)N2CCSC2)c(C2CCN(C(=O)c3c(C)noc3C)CC2)n1.
What is the InChIKey of [2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone?
The InChIKey is INMWXQNIHLRELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-13-4-5-17(20(26)25-10-11-29-12-25)19(22-13)16-6-8-24(9-7-16)21(27)18-14(2)23-28-15(18)3/h4-5,16H,6-12H2,1-3H3.
What are the key properties of [2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone?
[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone has a molecular weight of 414.53 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 3716711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).