[(1S,4R,9S,10S)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-3-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone

C21H26N4OS — CID 110141208

IUPAC[(1S,4R,9S,10S)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-3-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccccn2)sc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2
InChIInChI=1S/C21H26N4OS/c1-13-18(27-19(23-13)15-7-5-6-10-22-15)20(26)25-12-14-11-21(2)16(24-14)8-3-4-9-17(21)25/h5-7,10,14,16-17,24H,3-4,8-9,11-12H2,1-2H3/t14-,16-,17+,21-/m0/s1
InChIKeyFSYVOFPNXANJSG-WGVRVLLMSA-N
MW382.53 g/mol
LogP3.65
Rot. Bonds2

About [(1S,4R,9S,10S)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-3-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone

[(1S,4R,9S,10S)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-3-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 110141208) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is [(1S,4R,9S,10S)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-3-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(1S,4R,9S,10S)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-3-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID110141208
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC Name[(1S,4R,9S,10S)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-3-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccccn2)sc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2
InChIInChI=1S/C21H26N4OS/c1-13-18(27-19(23-13)15-7-5-6-10-22-15)20(26)25-12-14-11-21(2)16(24-14)8-3-4-9-17(21)25/h5-7,10,14,16-17,24H,3-4,8-9,11-12H2,1-2H3/t14-,16-,17+,21-/m0/s1
InChIKeyFSYVOFPNXANJSG-WGVRVLLMSA-N
XLogP3.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S,4R,9S,10S)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-3-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone with MolForge

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Related Compounds

[(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
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 39080704
(3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 95137194
[(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
1-[(1S,4R,9S,10R)-10-methyl-3-(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]ethanone
CID 110141553
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)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 41323206
[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
[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 120739504
(2-methyl-2,3-dihydroindol-1-yl)-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 46533643

Frequently Asked Questions

What is the IUPAC name of [(1S,4R,9S,10S)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-3-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(1S,4R,9S,10S)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-3-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone (CID 110141208) is [(1S,4R,9S,10S)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-3-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(1S,4R,9S,10S)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-3-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(1S,4R,9S,10S)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-3-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2ccccn2)sc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2.
What is the InChIKey of [(1S,4R,9S,10S)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-3-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is FSYVOFPNXANJSG-WGVRVLLMSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-13-18(27-19(23-13)15-7-5-6-10-22-15)20(26)25-12-14-11-21(2)16(24-14)8-3-4-9-17(21)25/h5-7,10,14,16-17,24H,3-4,8-9,11-12H2,1-2H3/t14-,16-,17+,21-/m0/s1.
What are the key properties of [(1S,4R,9S,10S)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-3-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
[(1S,4R,9S,10S)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-3-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 382.53 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R,9S,10S)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-3-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 110141208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).