N-(5-propan-2-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.2]nonane-3-carboxamide

C15H23N3OS — CID 22559470

IUPACN-(5-propan-2-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.2]nonane-3-carboxamide
SMILESCC(C)c1cnc(NC(=O)N2CC3CCC(CC3)C2)s1
InChIInChI=1S/C15H23N3OS/c1-10(2)13-7-16-14(20-13)17-15(19)18-8-11-3-4-12(9-18)6-5-11/h7,10-12H,3-6,8-9H2,1-2H3,(H,16,17,19)
InChIKeyQKVHBOUHGDCULP-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.92
Rot. Bonds2

About N-(5-propan-2-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.2]nonane-3-carboxamide

N-(5-propan-2-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.2]nonane-3-carboxamide (PubChem CID 22559470) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.2]nonane-3-carboxamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.2]nonane-3-carboxamide
PubChem CID22559470
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-(5-propan-2-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.2]nonane-3-carboxamide
SMILESCC(C)c1cnc(NC(=O)N2CC3CCC(CC3)C2)s1
InChIInChI=1S/C15H23N3OS/c1-10(2)13-7-16-14(20-13)17-15(19)18-8-11-3-4-12(9-18)6-5-11/h7,10-12H,3-6,8-9H2,1-2H3,(H,16,17,19)
InChIKeyQKVHBOUHGDCULP-UHFFFAOYSA-N
XLogP3.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.2]nonane-3-carboxamide?
The IUPAC name of N-(5-propan-2-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.2]nonane-3-carboxamide (CID 22559470) is N-(5-propan-2-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.2]nonane-3-carboxamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.2]nonane-3-carboxamide?
The canonical SMILES for N-(5-propan-2-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.2]nonane-3-carboxamide is CC(C)c1cnc(NC(=O)N2CC3CCC(CC3)C2)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.2]nonane-3-carboxamide?
The InChIKey is QKVHBOUHGDCULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10(2)13-7-16-14(20-13)17-15(19)18-8-11-3-4-12(9-18)6-5-11/h7,10-12H,3-6,8-9H2,1-2H3,(H,16,17,19).
What are the key properties of N-(5-propan-2-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.2]nonane-3-carboxamide?
N-(5-propan-2-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.2]nonane-3-carboxamide has a molecular weight of 293.44 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.2]nonane-3-carboxamide is sourced from PubChem (CID 22559470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).