2-[2-amino-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenoxy]acetonitrile

C16H12N4OS — CID 93205683

IUPAC2-[2-amino-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenoxy]acetonitrile
SMILESN#CCOc1ccc(-c2csc(-c3ccccn3)n2)cc1N
InChIInChI=1S/C16H12N4OS/c17-6-8-21-15-5-4-11(9-12(15)18)14-10-22-16(20-14)13-3-1-2-7-19-13/h1-5,7,9-10H,8,18H2
InChIKeyQPISEQCJBODDTQ-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.36
Rot. Bonds4

About 2-[2-amino-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenoxy]acetonitrile

2-[2-amino-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenoxy]acetonitrile (PubChem CID 93205683) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-[2-amino-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenoxy]acetonitrile
PubChem CID93205683
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name2-[2-amino-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenoxy]acetonitrile
SMILESN#CCOc1ccc(-c2csc(-c3ccccn3)n2)cc1N
InChIInChI=1S/C16H12N4OS/c17-6-8-21-15-5-4-11(9-12(15)18)14-10-22-16(20-14)13-3-1-2-7-19-13/h1-5,7,9-10H,8,18H2
InChIKeyQPISEQCJBODDTQ-UHFFFAOYSA-N
XLogP3.36
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-4-(2-propyl-1,3-thiazol-4-yl)phenoxy]acetonitrile
CID 82057793
2-fluoro-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)aniline
CID 39164031
2-pyridin-2-yl-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1,3-thiazole
CID 15542721
2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 93205686
[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]boronic acid
CID 99738175
4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine
CID 168950454
2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
CID 18707182
2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol
CID 82152286
5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline
CID 82152285
N-[2-hydroxy-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 135705051
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxyaniline
CID 82152301
4-(2-chlorophenyl)-2-pyridin-2-yl-1,3-thiazole
CID 17475261

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenoxy]acetonitrile?
The IUPAC name of 2-[2-amino-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenoxy]acetonitrile (CID 93205683) is 2-[2-amino-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenoxy]acetonitrile.
What is the SMILES notation for 2-[2-amino-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenoxy]acetonitrile?
The canonical SMILES for 2-[2-amino-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenoxy]acetonitrile is N#CCOc1ccc(-c2csc(-c3ccccn3)n2)cc1N.
What is the InChIKey of 2-[2-amino-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenoxy]acetonitrile?
The InChIKey is QPISEQCJBODDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c17-6-8-21-15-5-4-11(9-12(15)18)14-10-22-16(20-14)13-3-1-2-7-19-13/h1-5,7,9-10H,8,18H2.
What are the key properties of 2-[2-amino-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenoxy]acetonitrile?
2-[2-amino-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenoxy]acetonitrile has a molecular weight of 308.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenoxy]acetonitrile is sourced from PubChem (CID 93205683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).