2-(4,7-diazatricyclo[6.2.0.01,4]decan-7-ylmethyl)-1,3-benzothiazole

C16H19N3S — CID 163732735

IUPAC2-(4,7-diazatricyclo[6.2.0.01,4]decan-7-ylmethyl)-1,3-benzothiazole
SMILESc1ccc2sc(CN3CCN4CCC45CCC35)nc2c1
InChIInChI=1S/C16H19N3S/c1-2-4-13-12(3-1)17-15(20-13)11-18-9-10-19-8-7-16(19)6-5-14(16)18/h1-4,14H,5-11H2
InChIKeyLAZIWOIJTFRKDV-UHFFFAOYSA-N
MW285.42 g/mol
LogP2.72
Rot. Bonds2

About 2-(4,7-diazatricyclo[6.2.0.01,4]decan-7-ylmethyl)-1,3-benzothiazole

2-(4,7-diazatricyclo[6.2.0.01,4]decan-7-ylmethyl)-1,3-benzothiazole (PubChem CID 163732735) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 2-(4,7-diazatricyclo[6.2.0.01,4]decan-7-ylmethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4,7-diazatricyclo[6.2.0.01,4]decan-7-ylmethyl)-1,3-benzothiazole
PubChem CID163732735
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name2-(4,7-diazatricyclo[6.2.0.01,4]decan-7-ylmethyl)-1,3-benzothiazole
SMILESc1ccc2sc(CN3CCN4CCC45CCC35)nc2c1
InChIInChI=1S/C16H19N3S/c1-2-4-13-12(3-1)17-15(20-13)11-18-9-10-19-8-7-16(19)6-5-14(16)18/h1-4,14H,5-11H2
InChIKeyLAZIWOIJTFRKDV-UHFFFAOYSA-N
XLogP2.72
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(quinoxalin-2-ylmethyl)-4,7-diazatricyclo[6.2.0.01,4]decane
CID 143022371
2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-benzothiazole
CID 17481056
1-(1,3-benzothiazol-2-ylmethyl)pyrrolidine-2-carbonitrile
CID 104631037
2-[[2-(chloromethyl)piperidin-1-yl]methyl]-1,3-benzothiazole
CID 104631990
1-[1-(1,3-benzothiazol-2-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758778
1-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carbaldehyde
CID 55100069
1-(1,3-benzothiazol-2-ylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 104631136
1-(1,3-benzothiazol-2-ylmethyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102784109
2-[(2-methylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 55104966
2-[[3-(bromomethyl)piperidin-1-yl]methyl]-1,3-benzothiazole
CID 104632056
2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-1,3-benzothiazole
CID 114682379
1-(1,3-benzothiazol-2-ylmethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83079744

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-diazatricyclo[6.2.0.01,4]decan-7-ylmethyl)-1,3-benzothiazole?
The IUPAC name of 2-(4,7-diazatricyclo[6.2.0.01,4]decan-7-ylmethyl)-1,3-benzothiazole (CID 163732735) is 2-(4,7-diazatricyclo[6.2.0.01,4]decan-7-ylmethyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(4,7-diazatricyclo[6.2.0.01,4]decan-7-ylmethyl)-1,3-benzothiazole?
The canonical SMILES for 2-(4,7-diazatricyclo[6.2.0.01,4]decan-7-ylmethyl)-1,3-benzothiazole is c1ccc2sc(CN3CCN4CCC45CCC35)nc2c1.
What is the InChIKey of 2-(4,7-diazatricyclo[6.2.0.01,4]decan-7-ylmethyl)-1,3-benzothiazole?
The InChIKey is LAZIWOIJTFRKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-2-4-13-12(3-1)17-15(20-13)11-18-9-10-19-8-7-16(19)6-5-14(16)18/h1-4,14H,5-11H2.
What are the key properties of 2-(4,7-diazatricyclo[6.2.0.01,4]decan-7-ylmethyl)-1,3-benzothiazole?
2-(4,7-diazatricyclo[6.2.0.01,4]decan-7-ylmethyl)-1,3-benzothiazole has a molecular weight of 285.42 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-diazatricyclo[6.2.0.01,4]decan-7-ylmethyl)-1,3-benzothiazole is sourced from PubChem (CID 163732735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).