N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-fluorophenyl)-1,3-thiazole-2-carboxamide

C17H18FN3OS — CID 22350712

IUPACN-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-fluorophenyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ncc(-c2cccc(F)c2)s1
InChIInChI=1S/C17H18FN3OS/c18-13-3-1-2-12(7-13)15-8-19-17(23-15)16(22)20-14-6-11-4-5-21(9-11)10-14/h1-3,7-8,11,14H,4-6,9-10H2,(H,20,22)
InChIKeyWKAKEDPAPWBAHG-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.77
Rot. Bonds3

About N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-fluorophenyl)-1,3-thiazole-2-carboxamide

N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-fluorophenyl)-1,3-thiazole-2-carboxamide (PubChem CID 22350712) has the molecular formula C17H18FN3OS and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-fluorophenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-fluorophenyl)-1,3-thiazole-2-carboxamide
PubChem CID22350712
Molecular FormulaC17H18FN3OS
Molecular Weight331.42 g/mol
Exact Mass331.12
IUPAC NameN-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-fluorophenyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ncc(-c2cccc(F)c2)s1
InChIInChI=1S/C17H18FN3OS/c18-13-3-1-2-12(7-13)15-8-19-17(23-15)16(22)20-14-6-11-4-5-21(9-11)10-14/h1-3,7-8,11,14H,4-6,9-10H2,(H,20,22)
InChIKeyWKAKEDPAPWBAHG-UHFFFAOYSA-N
XLogP2.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-fluorophenyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-fluorophenyl)-1,3-thiazole-2-carboxamide (CID 22350712) is N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-fluorophenyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-fluorophenyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-fluorophenyl)-1,3-thiazole-2-carboxamide is O=C(NC1CC2CCN(C2)C1)c1ncc(-c2cccc(F)c2)s1.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-fluorophenyl)-1,3-thiazole-2-carboxamide?
The InChIKey is WKAKEDPAPWBAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3OS/c18-13-3-1-2-12(7-13)15-8-19-17(23-15)16(22)20-14-6-11-4-5-21(9-11)10-14/h1-3,7-8,11,14H,4-6,9-10H2,(H,20,22).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-fluorophenyl)-1,3-thiazole-2-carboxamide?
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-fluorophenyl)-1,3-thiazole-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-fluorophenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 22350712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).