N-(4,5-dimethyl-1,3-thiazol-2-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

C15H20N2O2S — CID 2967444

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCc1nc(NC(=O)C2CC3CCCC(C2)C3=O)sc1C
InChIInChI=1S/C15H20N2O2S/c1-8-9(2)20-15(16-8)17-14(19)12-6-10-4-3-5-11(7-12)13(10)18/h10-12H,3-7H2,1-2H3,(H,16,17,19)
InChIKeyHBRAKDLEZZNRHH-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.09
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 2967444) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID2967444
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCc1nc(NC(=O)C2CC3CCCC(C2)C3=O)sc1C
InChIInChI=1S/C15H20N2O2S/c1-8-9(2)20-15(16-8)17-14(19)12-6-10-4-3-5-11(7-12)13(10)18/h10-12H,3-7H2,1-2H3,(H,16,17,19)
InChIKeyHBRAKDLEZZNRHH-UHFFFAOYSA-N
XLogP3.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 2967444) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide is Cc1nc(NC(=O)C2CC3CCCC(C2)C3=O)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is HBRAKDLEZZNRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-8-9(2)20-15(16-8)17-14(19)12-6-10-4-3-5-11(7-12)13(10)18/h10-12H,3-7H2,1-2H3,(H,16,17,19).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 2967444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).