N-[2-(3-phenoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine

C22H19N3OS — CID 58791260

IUPACN-[2-(3-phenoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESc1ccc(Oc2cccc(CCNc3nc(-c4cccnc4)cs3)c2)cc1
InChIInChI=1S/C22H19N3OS/c1-2-8-19(9-3-1)26-20-10-4-6-17(14-20)11-13-24-22-25-21(16-27-22)18-7-5-12-23-15-18/h1-10,12,14-16H,11,13H2,(H,24,25)
InChIKeyJXXQSIUWYPXYFC-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.65
Rot. Bonds7

About N-[2-(3-phenoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine

N-[2-(3-phenoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 58791260) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[2-(3-phenoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(3-phenoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID58791260
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC NameN-[2-(3-phenoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESc1ccc(Oc2cccc(CCNc3nc(-c4cccnc4)cs3)c2)cc1
InChIInChI=1S/C22H19N3OS/c1-2-8-19(9-3-1)26-20-10-4-6-17(14-20)11-13-24-22-25-21(16-27-22)18-7-5-12-23-15-18/h1-10,12,14-16H,11,13H2,(H,24,25)
InChIKeyJXXQSIUWYPXYFC-UHFFFAOYSA-N
XLogP5.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(3-phenoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 58791260) is N-[2-(3-phenoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(3-phenoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(3-phenoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine is c1ccc(Oc2cccc(CCNc3nc(-c4cccnc4)cs3)c2)cc1.
What is the InChIKey of N-[2-(3-phenoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is JXXQSIUWYPXYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-2-8-19(9-3-1)26-20-10-4-6-17(14-20)11-13-24-22-25-21(16-27-22)18-7-5-12-23-15-18/h1-10,12,14-16H,11,13H2,(H,24,25).
What are the key properties of N-[2-(3-phenoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[2-(3-phenoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 373.48 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 58791260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).