11-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

C21H24N4O2S — CID 127253659

IUPAC11-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESO=C(Cc1csc(-c2ccccn2)n1)N1CC2CC(C1)C1CCCC(=O)N1C2
InChIInChI=1S/C21H24N4O2S/c26-19-6-3-5-18-15-8-14(11-25(18)19)10-24(12-15)20(27)9-16-13-28-21(23-16)17-4-1-2-7-22-17/h1-2,4,7,13-15,18H,3,5-6,8-12H2
InChIKeyIITMYYXMBMZSEQ-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.61
Rot. Bonds3

About 11-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

11-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 127253659) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 11-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

Compound Name11-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
PubChem CID127253659
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name11-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESO=C(Cc1csc(-c2ccccn2)n1)N1CC2CC(C1)C1CCCC(=O)N1C2
InChIInChI=1S/C21H24N4O2S/c26-19-6-3-5-18-15-8-14(11-25(18)19)10-24(12-15)20(27)9-16-13-28-21(23-16)17-4-1-2-7-22-17/h1-2,4,7,13-15,18H,3,5-6,8-12H2
InChIKeyIITMYYXMBMZSEQ-UHFFFAOYSA-N
XLogP2.61
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-11-(pyridine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 134804806
1-[(3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 122141584
(1R,2R,9R)-11-[2-(3-fluorophenyl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110194942
1-morpholin-4-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 33236750
(2S)-11-[2-(benzimidazol-1-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 171153198
methyl 1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 55513102
(3aS,6aR)-2-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682522
N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-2-carboxamide
CID 110195553
1-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 94643466
(1S,2S,8S,11R,16S)-11-methyl-18-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-8-propan-2-yl-7,14,18-triazatricyclo[14.3.1.02,14]icosane-6,13-dione
CID 154924260
(1R,2R,9R)-11-(3,3-dimethylbutanoyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110194972
N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17449429

Frequently Asked Questions

What is the IUPAC name of 11-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The IUPAC name of 11-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 127253659) is 11-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.
What is the SMILES notation for 11-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The canonical SMILES for 11-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is O=C(Cc1csc(-c2ccccn2)n1)N1CC2CC(C1)C1CCCC(=O)N1C2.
What is the InChIKey of 11-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The InChIKey is IITMYYXMBMZSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c26-19-6-3-5-18-15-8-14(11-25(18)19)10-24(12-15)20(27)9-16-13-28-21(23-16)17-4-1-2-7-22-17/h1-2,4,7,13-15,18H,3,5-6,8-12H2.
What are the key properties of 11-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
11-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 396.52 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 127253659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).