(1S,5R)-9-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide

C23H26N2O2S — CID 8780774

IUPAC(1S,5R)-9-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)C1C[C@H]2CCC[C@@H](C1)C2=O
InChIInChI=1S/C23H26N2O2S/c26-21-17-6-3-7-18(21)12-19(11-17)22(27)25-23-24-20(13-28-23)16-9-8-14-4-1-2-5-15(14)10-16/h8-10,13,17-19H,1-7,11-12H2,(H,24,25,27)/t17-,18+,19?
InChIKeyVUPQFTSQYFTSSX-DFNIBXOVSA-N
MW394.54 g/mol
LogP5.02
Rot. Bonds3

About (1S,5R)-9-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide

(1S,5R)-9-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 8780774) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is (1S,5R)-9-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,5R)-9-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID8780774
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC Name(1S,5R)-9-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)C1C[C@H]2CCC[C@@H](C1)C2=O
InChIInChI=1S/C23H26N2O2S/c26-21-17-6-3-7-18(21)12-19(11-17)22(27)25-23-24-20(13-28-23)16-9-8-14-4-1-2-5-15(14)10-16/h8-10,13,17-19H,1-7,11-12H2,(H,24,25,27)/t17-,18+,19?
InChIKeyVUPQFTSQYFTSSX-DFNIBXOVSA-N
XLogP5.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4677452
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 4142849
(1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 8920716
2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 119264633
1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 43049397
(2S)-1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 27376259
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1224000
1-(2-methoxyethyl)-5-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 112816775
phenyl N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate
CID 19227173
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide
CID 112766235
(2S)-2-acetamido-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 95306112
4-nitro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 3324049

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-9-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of (1S,5R)-9-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide (CID 8780774) is (1S,5R)-9-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for (1S,5R)-9-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for (1S,5R)-9-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide is O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)C1C[C@H]2CCC[C@@H](C1)C2=O.
What is the InChIKey of (1S,5R)-9-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is VUPQFTSQYFTSSX-DFNIBXOVSA-N. The full InChI is InChI=1S/C23H26N2O2S/c26-21-17-6-3-7-18(21)12-19(11-17)22(27)25-23-24-20(13-28-23)16-9-8-14-4-1-2-5-15(14)10-16/h8-10,13,17-19H,1-7,11-12H2,(H,24,25,27)/t17-,18+,19?.
What are the key properties of (1S,5R)-9-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
(1S,5R)-9-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-9-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 8780774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).