4-cyclopropyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2-thiazole-3,5-diamine

C15H24N4S — CID 103359889

IUPAC4-cyclopropyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2-thiazole-3,5-diamine
SMILESCN1C2CCCC1CC(Nc1snc(N)c1C1CC1)C2
InChIInChI=1S/C15H24N4S/c1-19-11-3-2-4-12(19)8-10(7-11)17-15-13(9-5-6-9)14(16)18-20-15/h9-12,17H,2-8H2,1H3,(H2,16,18)
InChIKeyHZNIUWUBRUFINI-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.03
Rot. Bonds3

About 4-cyclopropyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2-thiazole-3,5-diamine

4-cyclopropyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103359889) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2-thiazole-3,5-diamine
PubChem CID103359889
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name4-cyclopropyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2-thiazole-3,5-diamine
SMILESCN1C2CCCC1CC(Nc1snc(N)c1C1CC1)C2
InChIInChI=1S/C15H24N4S/c1-19-11-3-2-4-12(19)8-10(7-11)17-15-13(9-5-6-9)14(16)18-20-15/h9-12,17H,2-8H2,1H3,(H2,16,18)
InChIKeyHZNIUWUBRUFINI-UHFFFAOYSA-N
XLogP3.03
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2-thiazole-3,5-diamine (CID 103359889) is 4-cyclopropyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2-thiazole-3,5-diamine is CN1C2CCCC1CC(Nc1snc(N)c1C1CC1)C2.
What is the InChIKey of 4-cyclopropyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is HZNIUWUBRUFINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-19-11-3-2-4-12(19)8-10(7-11)17-15-13(9-5-6-9)14(16)18-20-15/h9-12,17H,2-8H2,1H3,(H2,16,18).
What are the key properties of 4-cyclopropyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 292.45 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).