N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide

C18H20FN3OS — CID 119455230

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2cccc(F)c2)n1)NC1CC2CCC(C1)N2
InChIInChI=1S/C18H20FN3OS/c19-12-3-1-2-11(6-12)18-22-16(10-24-18)9-17(23)21-15-7-13-4-5-14(8-15)20-13/h1-3,6,10,13-15,20H,4-5,7-9H2,(H,21,23)
InChIKeyHRRXOAOECLVWNN-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.89
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 119455230) has the molecular formula C18H20FN3OS and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID119455230
Molecular FormulaC18H20FN3OS
Molecular Weight345.44 g/mol
Exact Mass345.13
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2cccc(F)c2)n1)NC1CC2CCC(C1)N2
InChIInChI=1S/C18H20FN3OS/c19-12-3-1-2-11(6-12)18-22-16(10-24-18)9-17(23)21-15-7-13-4-5-14(8-15)20-13/h1-3,6,10,13-15,20H,4-5,7-9H2,(H,21,23)
InChIKeyHRRXOAOECLVWNN-UHFFFAOYSA-N
XLogP2.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 26722000
N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 17435272
cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675846
N-(4-aminocyclohexyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119474502
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 16563687
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78823529
7-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]heptanoic acid
CID 119227175
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119223235
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119457021
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 78791822
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 112804141

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide (CID 119455230) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(-c2cccc(F)c2)n1)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is HRRXOAOECLVWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3OS/c19-12-3-1-2-11(6-12)18-22-16(10-24-18)9-17(23)21-15-7-13-4-5-14(8-15)20-13/h1-3,6,10,13-15,20H,4-5,7-9H2,(H,21,23).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 119455230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).