[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C18H19FN2OS — CID 98067092

IUPAC[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C18H19FN2OS/c1-11-17(23-10-20-11)18(22)21-15-6-7-16(21)9-13(8-15)12-2-4-14(19)5-3-12/h2-5,10,13,15-16H,6-9H2,1H3/t15-,16-/m1/s1
InChIKeyVQDWTCCWXAFTFS-HZPDHXFCSA-N
MW330.43 g/mol
LogP4.14
Rot. Bonds2

About [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 98067092) has the molecular formula C18H19FN2OS and a molecular weight of 330.43 g/mol. Its IUPAC name is [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID98067092
Molecular FormulaC18H19FN2OS
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC Name[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C18H19FN2OS/c1-11-17(23-10-20-11)18(22)21-15-6-7-16(21)9-13(8-15)12-2-4-14(19)5-3-12/h2-5,10,13,15-16H,6-9H2,1H3/t15-,16-/m1/s1
InChIKeyVQDWTCCWXAFTFS-HZPDHXFCSA-N
XLogP4.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 98067092) is [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2.
What is the InChIKey of [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is VQDWTCCWXAFTFS-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H19FN2OS/c1-11-17(23-10-20-11)18(22)21-15-6-7-16(21)9-13(8-15)12-2-4-14(19)5-3-12/h2-5,10,13,15-16H,6-9H2,1H3/t15-,16-/m1/s1.
What are the key properties of [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 330.43 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 98067092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).