4-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-1,3-thiazole

C10H15N3S — CID 134436783

IUPAC4-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-1,3-thiazole
SMILESCN1CC2CC(C1)N2Cc1cscn1
InChIInChI=1S/C10H15N3S/c1-12-4-9-2-10(5-12)13(9)3-8-6-14-7-11-8/h6-7,9-10H,2-5H2,1H3
InChIKeyWPMZMXFFXQKWLA-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.03
Rot. Bonds2

About 4-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-1,3-thiazole

4-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-1,3-thiazole (PubChem CID 134436783) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 4-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-1,3-thiazole
PubChem CID134436783
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name4-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-1,3-thiazole
SMILESCN1CC2CC(C1)N2Cc1cscn1
InChIInChI=1S/C10H15N3S/c1-12-4-9-2-10(5-12)13(9)3-8-6-14-7-11-8/h6-7,9-10H,2-5H2,1H3
InChIKeyWPMZMXFFXQKWLA-UHFFFAOYSA-N
XLogP1.03
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-1,3-thiazole (CID 134436783) is 4-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-1,3-thiazole is CN1CC2CC(C1)N2Cc1cscn1.
What is the InChIKey of 4-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-1,3-thiazole?
The InChIKey is WPMZMXFFXQKWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-12-4-9-2-10(5-12)13(9)3-8-6-14-7-11-8/h6-7,9-10H,2-5H2,1H3.
What are the key properties of 4-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-1,3-thiazole?
4-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-1,3-thiazole has a molecular weight of 209.32 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 134436783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).