N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(1,3-thiazol-2-yl)phenyl]furan-2-carboxamide

C20H19N3O2S — CID 18535005

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(1,3-thiazol-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1ccc(-c2cccc(-c3nccs3)c2)o1
InChIInChI=1S/C20H19N3O2S/c24-19(23-16-11-14-4-5-15(16)22-14)18-7-6-17(25-18)12-2-1-3-13(10-12)20-21-8-9-26-20/h1-3,6-10,14-16,22H,4-5,11H2,(H,23,24)
InChIKeyUSOWMZVWONJSCM-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.69
Rot. Bonds4

About N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(1,3-thiazol-2-yl)phenyl]furan-2-carboxamide

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(1,3-thiazol-2-yl)phenyl]furan-2-carboxamide (PubChem CID 18535005) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(1,3-thiazol-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(1,3-thiazol-2-yl)phenyl]furan-2-carboxamide
PubChem CID18535005
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(1,3-thiazol-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1ccc(-c2cccc(-c3nccs3)c2)o1
InChIInChI=1S/C20H19N3O2S/c24-19(23-16-11-14-4-5-15(16)22-14)18-7-6-17(25-18)12-2-1-3-13(10-12)20-21-8-9-26-20/h1-3,6-10,14-16,22H,4-5,11H2,(H,23,24)
InChIKeyUSOWMZVWONJSCM-UHFFFAOYSA-N
XLogP3.69
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(1,3-oxazol-2-yl)phenyl]furan-2-carboxamide
CID 18535376
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide
CID 18535759
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[3-(furan-2-yl)phenyl]furan-2-carboxamide
CID 70025706
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 70026122
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-pyridin-3-ylfuran-2-carboxamide
CID 70027681
N-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide
CID 15978646
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(5-chloro-3-pyridinyl)furan-2-carboxamide
CID 18535263
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-ethylphenyl)furan-2-carboxamide
CID 70028089
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide
CID 18534899
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-nitrophenyl)furan-2-carboxamide
CID 10131402
N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane
CID 161354262
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 70026205

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(1,3-thiazol-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(1,3-thiazol-2-yl)phenyl]furan-2-carboxamide (CID 18535005) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(1,3-thiazol-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(1,3-thiazol-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(1,3-thiazol-2-yl)phenyl]furan-2-carboxamide is O=C(NC1CC2CCC1N2)c1ccc(-c2cccc(-c3nccs3)c2)o1.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(1,3-thiazol-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is USOWMZVWONJSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-19(23-16-11-14-4-5-15(16)22-14)18-7-6-17(25-18)12-2-1-3-13(10-12)20-21-8-9-26-20/h1-3,6-10,14-16,22H,4-5,11H2,(H,23,24).
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(1,3-thiazol-2-yl)phenyl]furan-2-carboxamide?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(1,3-thiazol-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(1,3-thiazol-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 18535005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).