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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Related Compounds

N-(2-phenylethyl)-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine
CID 134241887
N-(2-methoxy-5-phenoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791567
N-[2-[3-[4-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]phenyl]phenyl]ethyl]-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine
CID 134241813
N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide
CID 66562471
2-[2-phenoxy-5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]acetaldehyde
CID 87483194
3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 4801066
N-[(5-fluoro-3-pyridinyl)methyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 166341288
N-(naphthalen-1-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide
CID 87929254
4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 892965
N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791876
1-[2-(4-methoxyphenyl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiourea
CID 19703338
N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 62942552

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).