4-[[6-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,3-thiazole

C18H26ClN5S — CID 156606322

IUPAC4-[[6-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,3-thiazole
SMILESCCc1nn(C)c(Cl)c1CN1CC2CCC1CN(Cc1cscn1)C2
InChIInChI=1S/C18H26ClN5S/c1-3-17-16(18(19)22(2)21-17)10-24-7-13-4-5-15(24)9-23(6-13)8-14-11-25-12-20-14/h11-13,15H,3-10H2,1-2H3
InChIKeySRPBKZHCVALVFX-UHFFFAOYSA-N
MW379.96 g/mol
LogP3.19
Rot. Bonds5

About 4-[[6-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,3-thiazole

4-[[6-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,3-thiazole (PubChem CID 156606322) has the molecular formula C18H26ClN5S and a molecular weight of 379.96 g/mol. Its IUPAC name is 4-[[6-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[6-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,3-thiazole
PubChem CID156606322
Molecular FormulaC18H26ClN5S
Molecular Weight379.96 g/mol
Exact Mass379.16
IUPAC Name4-[[6-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,3-thiazole
SMILESCCc1nn(C)c(Cl)c1CN1CC2CCC1CN(Cc1cscn1)C2
InChIInChI=1S/C18H26ClN5S/c1-3-17-16(18(19)22(2)21-17)10-24-7-13-4-5-15(24)9-23(6-13)8-14-11-25-12-20-14/h11-13,15H,3-10H2,1-2H3
InChIKeySRPBKZHCVALVFX-UHFFFAOYSA-N
XLogP3.19
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.96
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[6-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,3-thiazole 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 4-[[6-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[6-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,3-thiazole (CID 156606322) is 4-[[6-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[6-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[6-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,3-thiazole is CCc1nn(C)c(Cl)c1CN1CC2CCC1CN(Cc1cscn1)C2.
What is the InChIKey of 4-[[6-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,3-thiazole?
The InChIKey is SRPBKZHCVALVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN5S/c1-3-17-16(18(19)22(2)21-17)10-24-7-13-4-5-15(24)9-23(6-13)8-14-11-25-12-20-14/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 4-[[6-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,3-thiazole?
4-[[6-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,3-thiazole has a molecular weight of 379.96 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 156606322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).