11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-(2-methyl-1,3-thiazol-4-yl)methanone

C15H14N2OS — CID 122270357

IUPAC11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2C3CCC2c2ccccc23)cs1
InChIInChI=1S/C15H14N2OS/c1-9-16-12(8-19-9)15(18)17-13-6-7-14(17)11-5-3-2-4-10(11)13/h2-5,8,13-14H,6-7H2,1H3
InChIKeyDIGLUNVRZYNEOF-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.48
Rot. Bonds1

About 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-(2-methyl-1,3-thiazol-4-yl)methanone

11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 122270357) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID122270357
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2C3CCC2c2ccccc23)cs1
InChIInChI=1S/C15H14N2OS/c1-9-16-12(8-19-9)15(18)17-13-6-7-14(17)11-5-3-2-4-10(11)13/h2-5,8,13-14H,6-7H2,1H3
InChIKeyDIGLUNVRZYNEOF-UHFFFAOYSA-N
XLogP3.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-(2-methyl-1,3-thiazol-4-yl)methanone (CID 122270357) is 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2C3CCC2c2ccccc23)cs1.
What is the InChIKey of 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is DIGLUNVRZYNEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-9-16-12(8-19-9)15(18)17-13-6-7-14(17)11-5-3-2-4-10(11)13/h2-5,8,13-14H,6-7H2,1H3.
What are the key properties of 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-(2-methyl-1,3-thiazol-4-yl)methanone?
11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 270.36 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 122270357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).