2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide

C15H23N3OS — CID 119891882

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1nc(C)c(CNC(=O)CC2CC3CCC(C2)N3)s1
InChIInChI=1S/C15H23N3OS/c1-9-14(20-10(2)17-9)8-16-15(19)7-11-5-12-3-4-13(6-11)18-12/h11-13,18H,3-8H2,1-2H3,(H,16,19)
InChIKeyQMADYGJXZXQBLH-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.30
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 119891882) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID119891882
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1nc(C)c(CNC(=O)CC2CC3CCC(C2)N3)s1
InChIInChI=1S/C15H23N3OS/c1-9-14(20-10(2)17-9)8-16-15(19)7-11-5-12-3-4-13(6-11)18-12/h11-13,18H,3-8H2,1-2H3,(H,16,19)
InChIKeyQMADYGJXZXQBLH-UHFFFAOYSA-N
XLogP2.30
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide (CID 119891882) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide is Cc1nc(C)c(CNC(=O)CC2CC3CCC(C2)N3)s1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is QMADYGJXZXQBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-9-14(20-10(2)17-9)8-16-15(19)7-11-5-12-3-4-13(6-11)18-12/h11-13,18H,3-8H2,1-2H3,(H,16,19).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 293.44 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 119891882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).