[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone

C17H21N3OS — CID 39080704

IUPAC[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccccn2)sc1C(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C17H21N3OS/c1-11-7-6-8-12(2)20(11)17(21)15-13(3)19-16(22-15)14-9-4-5-10-18-14/h4-5,9-12H,6-8H2,1-3H3/t11-,12+
InChIKeyVGRDSRLAQFIYAV-TXEJJXNPSA-N
MW315.44 g/mol
LogP3.92
Rot. Bonds2

About [(2R,6S)-2,6-dimethylpiperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone

[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 39080704) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylpiperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID39080704
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccccn2)sc1C(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C17H21N3OS/c1-11-7-6-8-12(2)20(11)17(21)15-13(3)19-16(22-15)14-9-4-5-10-18-14/h4-5,9-12H,6-8H2,1-3H3/t11-,12+
InChIKeyVGRDSRLAQFIYAV-TXEJJXNPSA-N
XLogP3.92
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R,6S)-2,6-dimethylpiperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone with MolForge

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 46533643
N-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 71934858
N-cyclopentyl-N-ethyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 134060937
(3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 95137194
[(1S,4R,9S,10R)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 110141211
4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 94868020
(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 59338745
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 41323206
[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 51950850
[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 51950849
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 24512746
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137895

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylpiperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylpiperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone (CID 39080704) is [(2R,6S)-2,6-dimethylpiperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylpiperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylpiperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2ccccn2)sc1C(=O)N1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of [(2R,6S)-2,6-dimethylpiperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is VGRDSRLAQFIYAV-TXEJJXNPSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-11-7-6-8-12(2)20(11)17(21)15-13(3)19-16(22-15)14-9-4-5-10-18-14/h4-5,9-12H,6-8H2,1-3H3/t11-,12+.
What are the key properties of [(2R,6S)-2,6-dimethylpiperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 315.44 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylpiperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 39080704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).