2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

C15H23N3OS — CID 79164749

IUPAC2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCN1C2CCC1CN(c1nc3c(s1)C(O)CCC3)CC2
InChIInChI=1S/C15H23N3OS/c1-17-10-5-6-11(17)9-18(8-7-10)15-16-12-3-2-4-13(19)14(12)20-15/h10-11,13,19H,2-9H2,1H3
InChIKeyXBZRPPHCSDUEDQ-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.19
Rot. Bonds1

About 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 79164749) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID79164749
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCN1C2CCC1CN(c1nc3c(s1)C(O)CCC3)CC2
InChIInChI=1S/C15H23N3OS/c1-17-10-5-6-11(17)9-18(8-7-10)15-16-12-3-2-4-13(19)14(12)20-15/h10-11,13,19H,2-9H2,1H3
InChIKeyXBZRPPHCSDUEDQ-UHFFFAOYSA-N
XLogP2.19
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 79164749) is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is CN1C2CCC1CN(c1nc3c(s1)C(O)CCC3)CC2.
What is the InChIKey of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is XBZRPPHCSDUEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-17-10-5-6-11(17)9-18(8-7-10)15-16-12-3-2-4-13(19)14(12)20-15/h10-11,13,19H,2-9H2,1H3.
What are the key properties of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 293.44 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 79164749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).