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

C19H21FN2OS — CID 70764703

IUPAC[(1S,5R)-3-(4-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1cc(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2scnc2C)ccc1F
InChIInChI=1S/C19H21FN2OS/c1-11-7-13(3-6-17(11)20)14-8-15-4-5-16(9-14)22(15)19(23)18-12(2)21-10-24-18/h3,6-7,10,14-16H,4-5,8-9H2,1-2H3/t14?,15-,16+
InChIKeyBGXZWIPTEMTGII-MQVJKMGUSA-N
MW344.46 g/mol
LogP4.45
Rot. Bonds2

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

[(1S,5R)-3-(4-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 70764703) has the molecular formula C19H21FN2OS and a molecular weight of 344.46 g/mol. Its IUPAC name is [(1S,5R)-3-(4-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(1S,5R)-3-(4-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID70764703
Molecular FormulaC19H21FN2OS
Molecular Weight344.46 g/mol
Exact Mass344.14
IUPAC Name[(1S,5R)-3-(4-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1cc(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2scnc2C)ccc1F
InChIInChI=1S/C19H21FN2OS/c1-11-7-13(3-6-17(11)20)14-8-15-4-5-16(9-14)22(15)19(23)18-12(2)21-10-24-18/h3,6-7,10,14-16H,4-5,8-9H2,1-2H3/t14?,15-,16+
InChIKeyBGXZWIPTEMTGII-MQVJKMGUSA-N
XLogP4.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1S,5R)-3-(4-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-(4-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(1S,5R)-3-(4-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 70764703) is [(1S,5R)-3-(4-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(1S,5R)-3-(4-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(1S,5R)-3-(4-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1cc(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2scnc2C)ccc1F.
What is the InChIKey of [(1S,5R)-3-(4-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is BGXZWIPTEMTGII-MQVJKMGUSA-N. The full InChI is InChI=1S/C19H21FN2OS/c1-11-7-13(3-6-17(11)20)14-8-15-4-5-16(9-14)22(15)19(23)18-12(2)21-10-24-18/h3,6-7,10,14-16H,4-5,8-9H2,1-2H3/t14?,15-,16+.
What are the key properties of [(1S,5R)-3-(4-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[(1S,5R)-3-(4-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 344.46 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-(4-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 70764703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).