[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylthiadiazol-5-yl)methanone

C17H18FN3OS — CID 16668638

IUPAC[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1C2CCC1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C17H18FN3OS/c1-10-16(23-20-19-10)17(22)21-14-6-7-15(21)9-12(8-14)11-2-4-13(18)5-3-11/h2-5,12,14-15H,6-9H2,1H3
InChIKeyVWGPNIKAKHOGAP-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.54
Rot. Bonds2

About [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylthiadiazol-5-yl)methanone

[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 16668638) has the molecular formula C17H18FN3OS and a molecular weight of 331.42 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID16668638
Molecular FormulaC17H18FN3OS
Molecular Weight331.42 g/mol
Exact Mass331.12
IUPAC Name[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1C2CCC1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C17H18FN3OS/c1-10-16(23-20-19-10)17(22)21-14-6-7-15(21)9-12(8-14)11-2-4-13(18)5-3-11/h2-5,12,14-15H,6-9H2,1H3
InChIKeyVWGPNIKAKHOGAP-UHFFFAOYSA-N
XLogP3.54
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylthiadiazol-5-yl)methanone with MolForge

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Related Compounds

(4-Benzoylpiperidino)(4-methyl-1,2,3-thiadiazol-5-yl)methanone
CID 2740762
N-benzyl-N-isopropyl-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 2813487
N-(4-fluorobenzyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 7293423
{1-[(4-Methyl-1,2,3-thiadiazol-5-yl)carbonyl]piperidin-3-yl}[4-(trifluoromethyl)phenyl]methanone
CID 16191680
N-((1-(4-fluorophenyl)cyclopropyl)methyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 45560939
(4-Benzyl-1,4-diazepan-1-yl)-(4-ethylthiadiazol-5-yl)methanone
CID 45800566
4-ethyl-N-(3-methyl-2-phenylbutyl)thiadiazole-5-carboxamide
CID 45884503
[4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 46100485
1-[(4-Fluorophenyl)methyl]-3-{[1-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperidin-4-yl]methyl}urea
CID 49689934
(4-Ethylthiadiazol-5-yl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 51076086
N-{[1-(4-Methyl-1,2,3-thiadiazole-5-carbonyl)piperidin-4-YL]methyl}-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806833
(3-(4-Fluorophenyl)azepan-1-yl)(4-methyl-1,2,3-thiadiazol-5-yl)methanone
CID 72717462

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylthiadiazol-5-yl)methanone (CID 16668638) is [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1C2CCC1CC(c1ccc(F)cc1)C2.
What is the InChIKey of [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is VWGPNIKAKHOGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3OS/c1-10-16(23-20-19-10)17(22)21-14-6-7-15(21)9-12(8-14)11-2-4-13(18)5-3-11/h2-5,12,14-15H,6-9H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylthiadiazol-5-yl)methanone?
[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 331.42 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 16668638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).