9-oxo-N-(1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide

C13H16N2O2S — CID 5067003

IUPAC9-oxo-N-(1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1nccs1)C1CC2CCCC(C1)C2=O
InChIInChI=1S/C13H16N2O2S/c16-11-8-2-1-3-9(11)7-10(6-8)12(17)15-13-14-4-5-18-13/h4-5,8-10H,1-3,6-7H2,(H,14,15,17)
InChIKeyIPDWXWCXSGXNOE-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.48
Rot. Bonds2

About 9-oxo-N-(1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide

9-oxo-N-(1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 5067003) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 9-oxo-N-(1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-oxo-N-(1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID5067003
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name9-oxo-N-(1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1nccs1)C1CC2CCCC(C1)C2=O
InChIInChI=1S/C13H16N2O2S/c16-11-8-2-1-3-9(11)7-10(6-8)12(17)15-13-14-4-5-18-13/h4-5,8-10H,1-3,6-7H2,(H,14,15,17)
InChIKeyIPDWXWCXSGXNOE-UHFFFAOYSA-N
XLogP2.48
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 126794153
N-(1,3-thiazol-2-yl)azetidine-2-carboxamide
CID 130992868
1-cyclopentyl-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 17081286
(1R,5S)-N-(2,6-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 51544633
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide
CID 110687201
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide
CID 2313436
1-cyclopropyl-3-(1,3-thiazol-2-yl)urea
CID 108887577
3,3-dicyclopropyl-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 47299476
(3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 124976321
1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47245076
1-propylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 47387426
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide
CID 50875911

Frequently Asked Questions

What is the IUPAC name of 9-oxo-N-(1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-oxo-N-(1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide (CID 5067003) is 9-oxo-N-(1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-oxo-N-(1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-oxo-N-(1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide is O=C(Nc1nccs1)C1CC2CCCC(C1)C2=O.
What is the InChIKey of 9-oxo-N-(1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is IPDWXWCXSGXNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c16-11-8-2-1-3-9(11)7-10(6-8)12(17)15-13-14-4-5-18-13/h4-5,8-10H,1-3,6-7H2,(H,14,15,17).
What are the key properties of 9-oxo-N-(1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide?
9-oxo-N-(1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-(1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 5067003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).