5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2-thiazol-3-amine

C11H18N4S — CID 103359097

IUPAC5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2-thiazol-3-amine
SMILESCN1C2CCC1CN(c1cc(N)ns1)CC2
InChIInChI=1S/C11H18N4S/c1-14-8-2-3-9(14)7-15(5-4-8)11-6-10(12)13-16-11/h6,8-9H,2-5,7H2,1H3,(H2,12,13)
InChIKeyDFTYFTYRCWHGTE-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.40
Rot. Bonds1

About 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2-thiazol-3-amine

5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2-thiazol-3-amine (PubChem CID 103359097) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2-thiazol-3-amine
PubChem CID103359097
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2-thiazol-3-amine
SMILESCN1C2CCC1CN(c1cc(N)ns1)CC2
InChIInChI=1S/C11H18N4S/c1-14-8-2-3-9(14)7-15(5-4-8)11-6-10(12)13-16-11/h6,8-9H,2-5,7H2,1H3,(H2,12,13)
InChIKeyDFTYFTYRCWHGTE-UHFFFAOYSA-N
XLogP1.40
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2-thiazol-3-amine?
The IUPAC name of 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2-thiazol-3-amine (CID 103359097) is 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2-thiazol-3-amine is CN1C2CCC1CN(c1cc(N)ns1)CC2.
What is the InChIKey of 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2-thiazol-3-amine?
The InChIKey is DFTYFTYRCWHGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-14-8-2-3-9(14)7-15(5-4-8)11-6-10(12)13-16-11/h6,8-9H,2-5,7H2,1H3,(H2,12,13).
What are the key properties of 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2-thiazol-3-amine?
5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2-thiazol-3-amine has a molecular weight of 238.36 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103359097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).