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

C14H24N4S — CID 79774443

IUPACN-ethyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(CN2CCC3CCC(C2)N3C)s1
InChIInChI=1S/C14H24N4S/c1-3-15-14-16-8-13(19-14)10-18-7-6-11-4-5-12(9-18)17(11)2/h8,11-12H,3-7,9-10H2,1-2H3,(H,15,16)
InChIKeyXWNVALIZMIJNRY-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.24
Rot. Bonds4

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

N-ethyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 79774443) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is N-ethyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID79774443
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC NameN-ethyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(CN2CCC3CCC(C2)N3C)s1
InChIInChI=1S/C14H24N4S/c1-3-15-14-16-8-13(19-14)10-18-7-6-11-4-5-12(9-18)17(11)2/h8,11-12H,3-7,9-10H2,1-2H3,(H,15,16)
InChIKeyXWNVALIZMIJNRY-UHFFFAOYSA-N
XLogP2.24
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazol-2-amine (CID 79774443) is N-ethyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazol-2-amine is CCNc1ncc(CN2CCC3CCC(C2)N3C)s1.
What is the InChIKey of N-ethyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is XWNVALIZMIJNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-3-15-14-16-8-13(19-14)10-18-7-6-11-4-5-12(9-18)17(11)2/h8,11-12H,3-7,9-10H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazol-2-amine?
N-ethyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 280.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79774443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).