N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide

C23H29N5O2S — CID 86934117

IUPACN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(N2CCCNC2=O)n1)NC1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C23H29N5O2S/c29-21(13-18-15-31-23(26-18)27-10-4-9-24-22(27)30)25-17-11-19-7-8-20(12-17)28(19)14-16-5-2-1-3-6-16/h1-3,5-6,15,17,19-20H,4,7-14H2,(H,24,30)(H,25,29)
InChIKeyRMHDGQFNKPDTJN-UHFFFAOYSA-N
MW439.59 g/mol
LogP2.92
Rot. Bonds6

About N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 86934117) has the molecular formula C23H29N5O2S and a molecular weight of 439.59 g/mol. Its IUPAC name is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID86934117
Molecular FormulaC23H29N5O2S
Molecular Weight439.59 g/mol
Exact Mass439.20
IUPAC NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(N2CCCNC2=O)n1)NC1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C23H29N5O2S/c29-21(13-18-15-31-23(26-18)27-10-4-9-24-22(27)30)25-17-11-19-7-8-20(12-17)28(19)14-16-5-2-1-3-6-16/h1-3,5-6,15,17,19-20H,4,7-14H2,(H,24,30)(H,25,29)
InChIKeyRMHDGQFNKPDTJN-UHFFFAOYSA-N
XLogP2.92
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.59
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide (CID 86934117) is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(N2CCCNC2=O)n1)NC1CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is RMHDGQFNKPDTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2S/c29-21(13-18-15-31-23(26-18)27-10-4-9-24-22(27)30)25-17-11-19-7-8-20(12-17)28(19)14-16-5-2-1-3-6-16/h1-3,5-6,15,17,19-20H,4,7-14H2,(H,24,30)(H,25,29).
What are the key properties of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide?
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 439.59 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 86934117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).