2-[3-(1,3-thiazol-5-ylmethylamino)phenoxy]acetonitrile

C12H11N3OS — CID 62760732

IUPAC2-[3-(1,3-thiazol-5-ylmethylamino)phenoxy]acetonitrile
SMILESN#CCOc1cccc(NCc2cncs2)c1
InChIInChI=1S/C12H11N3OS/c13-4-5-16-11-3-1-2-10(6-11)15-8-12-7-14-9-17-12/h1-3,6-7,9,15H,5,8H2
InChIKeyJGAGJUXPMJPMTL-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.66
Rot. Bonds5

About 2-[3-(1,3-thiazol-5-ylmethylamino)phenoxy]acetonitrile

2-[3-(1,3-thiazol-5-ylmethylamino)phenoxy]acetonitrile (PubChem CID 62760732) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-[3-(1,3-thiazol-5-ylmethylamino)phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[3-(1,3-thiazol-5-ylmethylamino)phenoxy]acetonitrile
PubChem CID62760732
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name2-[3-(1,3-thiazol-5-ylmethylamino)phenoxy]acetonitrile
SMILESN#CCOc1cccc(NCc2cncs2)c1
InChIInChI=1S/C12H11N3OS/c13-4-5-16-11-3-1-2-10(6-11)15-8-12-7-14-9-17-12/h1-3,6-7,9,15H,5,8H2
InChIKeyJGAGJUXPMJPMTL-UHFFFAOYSA-N
XLogP2.66
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(1,3-thiazol-5-ylmethylamino)phenoxy]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 55109711
2-[3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]acetonitrile
CID 104881388
2-[3-(pyrimidin-4-ylmethylamino)phenoxy]acetonitrile
CID 62749072
2-[3-[(3-bromothiophen-2-yl)methylamino]phenoxy]acetonitrile
CID 115380015
2-[3-[(3,4-dihydroxyphenyl)methylamino]phenoxy]acetonitrile
CID 43721156
2-[3-[(5-methylfuran-2-yl)methylamino]phenoxy]acetonitrile
CID 43721153
2-[3-(1H-imidazol-2-ylmethylamino)phenoxy]acetonitrile
CID 54976517
2-[3-[(1-ethenylpyrazol-4-yl)methylamino]phenoxy]acetonitrile
CID 106936147
2-[3-[(3,4-dimethylphenyl)methylamino]phenoxy]acetonitrile
CID 43786086
2-[3-[(2,5-difluorophenyl)methylamino]phenoxy]acetonitrile
CID 43721091
2-[3-[(3-hydroxyanilino)methyl]phenoxy]acetonitrile
CID 43770960
2-[3-[(2,4-dichlorophenyl)methylamino]phenoxy]acetonitrile
CID 43721151

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-thiazol-5-ylmethylamino)phenoxy]acetonitrile?
The IUPAC name of 2-[3-(1,3-thiazol-5-ylmethylamino)phenoxy]acetonitrile (CID 62760732) is 2-[3-(1,3-thiazol-5-ylmethylamino)phenoxy]acetonitrile.
What is the SMILES notation for 2-[3-(1,3-thiazol-5-ylmethylamino)phenoxy]acetonitrile?
The canonical SMILES for 2-[3-(1,3-thiazol-5-ylmethylamino)phenoxy]acetonitrile is N#CCOc1cccc(NCc2cncs2)c1.
What is the InChIKey of 2-[3-(1,3-thiazol-5-ylmethylamino)phenoxy]acetonitrile?
The InChIKey is JGAGJUXPMJPMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c13-4-5-16-11-3-1-2-10(6-11)15-8-12-7-14-9-17-12/h1-3,6-7,9,15H,5,8H2.
What are the key properties of 2-[3-(1,3-thiazol-5-ylmethylamino)phenoxy]acetonitrile?
2-[3-(1,3-thiazol-5-ylmethylamino)phenoxy]acetonitrile has a molecular weight of 245.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-thiazol-5-ylmethylamino)phenoxy]acetonitrile is sourced from PubChem (CID 62760732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).