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

C15H26N4S — CID 79774545

IUPAC5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN2CCC3CCC(C2)N3C)s1
InChIInChI=1S/C15H26N4S/c1-3-7-16-15-17-9-14(20-15)11-19-8-6-12-4-5-13(10-19)18(12)2/h9,12-13H,3-8,10-11H2,1-2H3,(H,16,17)
InChIKeyLAGPJRJAVCHSNV-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.63
Rot. Bonds5

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

5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 79774545) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID79774545
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN2CCC3CCC(C2)N3C)s1
InChIInChI=1S/C15H26N4S/c1-3-7-16-15-17-9-14(20-15)11-19-8-6-12-4-5-13(10-19)18(12)2/h9,12-13H,3-8,10-11H2,1-2H3,(H,16,17)
InChIKeyLAGPJRJAVCHSNV-UHFFFAOYSA-N
XLogP2.63
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.63
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)methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propyl-1,3-thiazol-2-amine (CID 79774545) is 5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(CN2CCC3CCC(C2)N3C)s1.
What is the InChIKey of 5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is LAGPJRJAVCHSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-3-7-16-15-17-9-14(20-15)11-19-8-6-12-4-5-13(10-19)18(12)2/h9,12-13H,3-8,10-11H2,1-2H3,(H,16,17).
What are the key properties of 5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propyl-1,3-thiazol-2-amine?
5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 294.47 g/mol, XLogP of 2.63, 5 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)methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79774545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).