N-[(7R)-2-azabicyclo[2.2.1]heptan-7-yl]-5-[4-(4-fluorophenoxy)-3-pyridinyl]-1,3-thiazole-2-carboxamide

C21H19FN4O2S — CID 166843487

IUPACN-[(7R)-2-azabicyclo[2.2.1]heptan-7-yl]-5-[4-(4-fluorophenoxy)-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESO=C(N[C@@H]1C2CCC1NC2)c1ncc(-c2cnccc2Oc2ccc(F)cc2)s1
InChIInChI=1S/C21H19FN4O2S/c22-13-2-4-14(5-3-13)28-17-7-8-23-10-15(17)18-11-25-21(29-18)20(27)26-19-12-1-6-16(19)24-9-12/h2-5,7-8,10-12,16,19,24H,1,6,9H2,(H,26,27)/t12?,16?,19-/m1/s1
InChIKeyIZDPOFOWRFTDEI-ZBOLSWHPSA-N
MW410.47 g/mol
LogP3.62
Rot. Bonds5

About N-[(7R)-2-azabicyclo[2.2.1]heptan-7-yl]-5-[4-(4-fluorophenoxy)-3-pyridinyl]-1,3-thiazole-2-carboxamide

N-[(7R)-2-azabicyclo[2.2.1]heptan-7-yl]-5-[4-(4-fluorophenoxy)-3-pyridinyl]-1,3-thiazole-2-carboxamide (PubChem CID 166843487) has the molecular formula C21H19FN4O2S and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[(7R)-2-azabicyclo[2.2.1]heptan-7-yl]-5-[4-(4-fluorophenoxy)-3-pyridinyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(7R)-2-azabicyclo[2.2.1]heptan-7-yl]-5-[4-(4-fluorophenoxy)-3-pyridinyl]-1,3-thiazole-2-carboxamide
PubChem CID166843487
Molecular FormulaC21H19FN4O2S
Molecular Weight410.47 g/mol
Exact Mass410.12
IUPAC NameN-[(7R)-2-azabicyclo[2.2.1]heptan-7-yl]-5-[4-(4-fluorophenoxy)-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESO=C(N[C@@H]1C2CCC1NC2)c1ncc(-c2cnccc2Oc2ccc(F)cc2)s1
InChIInChI=1S/C21H19FN4O2S/c22-13-2-4-14(5-3-13)28-17-7-8-23-10-15(17)18-11-25-21(29-18)20(27)26-19-12-1-6-16(19)24-9-12/h2-5,7-8,10-12,16,19,24H,1,6,9H2,(H,26,27)/t12?,16?,19-/m1/s1
InChIKeyIZDPOFOWRFTDEI-ZBOLSWHPSA-N
XLogP3.62
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(7R)-2-azabicyclo[2.2.1]heptan-7-yl]-5-[4-(4-fluorophenoxy)-3-pyridinyl]-1,3-thiazole-2-carboxamide 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 N-[(7R)-2-azabicyclo[2.2.1]heptan-7-yl]-5-[4-(4-fluorophenoxy)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(7R)-2-azabicyclo[2.2.1]heptan-7-yl]-5-[4-(4-fluorophenoxy)-3-pyridinyl]-1,3-thiazole-2-carboxamide (CID 166843487) is N-[(7R)-2-azabicyclo[2.2.1]heptan-7-yl]-5-[4-(4-fluorophenoxy)-3-pyridinyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(7R)-2-azabicyclo[2.2.1]heptan-7-yl]-5-[4-(4-fluorophenoxy)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(7R)-2-azabicyclo[2.2.1]heptan-7-yl]-5-[4-(4-fluorophenoxy)-3-pyridinyl]-1,3-thiazole-2-carboxamide is O=C(N[C@@H]1C2CCC1NC2)c1ncc(-c2cnccc2Oc2ccc(F)cc2)s1.
What is the InChIKey of N-[(7R)-2-azabicyclo[2.2.1]heptan-7-yl]-5-[4-(4-fluorophenoxy)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The InChIKey is IZDPOFOWRFTDEI-ZBOLSWHPSA-N. The full InChI is InChI=1S/C21H19FN4O2S/c22-13-2-4-14(5-3-13)28-17-7-8-23-10-15(17)18-11-25-21(29-18)20(27)26-19-12-1-6-16(19)24-9-12/h2-5,7-8,10-12,16,19,24H,1,6,9H2,(H,26,27)/t12?,16?,19-/m1/s1.
What are the key properties of N-[(7R)-2-azabicyclo[2.2.1]heptan-7-yl]-5-[4-(4-fluorophenoxy)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
N-[(7R)-2-azabicyclo[2.2.1]heptan-7-yl]-5-[4-(4-fluorophenoxy)-3-pyridinyl]-1,3-thiazole-2-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7R)-2-azabicyclo[2.2.1]heptan-7-yl]-5-[4-(4-fluorophenoxy)-3-pyridinyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 166843487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).