N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-(4-fluorophenyl)-1,3-thiazole-2-carboxamide

C16H16FN3OS — CID 22350699

IUPACN-(2-azabicyclo[2.2.1]heptan-6-yl)-5-(4-fluorophenyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CC2CNC1C2)c1ncc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H16FN3OS/c17-11-3-1-10(2-4-11)14-8-19-16(22-14)15(21)20-13-6-9-5-12(13)18-7-9/h1-4,8-9,12-13,18H,5-7H2,(H,20,21)
InChIKeyAOPYRIOPGWWMTJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.43
Rot. Bonds3

About N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-(4-fluorophenyl)-1,3-thiazole-2-carboxamide

N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-(4-fluorophenyl)-1,3-thiazole-2-carboxamide (PubChem CID 22350699) has the molecular formula C16H16FN3OS and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-(4-fluorophenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-6-yl)-5-(4-fluorophenyl)-1,3-thiazole-2-carboxamide
PubChem CID22350699
Molecular FormulaC16H16FN3OS
Molecular Weight317.39 g/mol
Exact Mass317.10
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-6-yl)-5-(4-fluorophenyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CC2CNC1C2)c1ncc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H16FN3OS/c17-11-3-1-10(2-4-11)14-8-19-16(22-14)15(21)20-13-6-9-5-12(13)18-7-9/h1-4,8-9,12-13,18H,5-7H2,(H,20,21)
InChIKeyAOPYRIOPGWWMTJ-UHFFFAOYSA-N
XLogP2.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-(4-fluorophenyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-(4-fluorophenyl)-1,3-thiazole-2-carboxamide (CID 22350699) is N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-(4-fluorophenyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-(4-fluorophenyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-(4-fluorophenyl)-1,3-thiazole-2-carboxamide is O=C(NC1CC2CNC1C2)c1ncc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-(4-fluorophenyl)-1,3-thiazole-2-carboxamide?
The InChIKey is AOPYRIOPGWWMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3OS/c17-11-3-1-10(2-4-11)14-8-19-16(22-14)15(21)20-13-6-9-5-12(13)18-7-9/h1-4,8-9,12-13,18H,5-7H2,(H,20,21).
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-(4-fluorophenyl)-1,3-thiazole-2-carboxamide?
N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-(4-fluorophenyl)-1,3-thiazole-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-(4-fluorophenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 22350699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).