2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]benzonitrile

C16H12N4OS — CID 16752714

IUPAC2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]benzonitrile
SMILESCc1csc(Nc2ncccc2Oc2ccccc2C#N)n1
InChIInChI=1S/C16H12N4OS/c1-11-10-22-16(19-11)20-15-14(7-4-8-18-15)21-13-6-3-2-5-12(13)9-17/h2-8,10H,1H3,(H,18,19,20)
InChIKeyKPJJEXKLZAXHEE-UHFFFAOYSA-N
MW308.37 g/mol
LogP4.25
Rot. Bonds4

About 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]benzonitrile

2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]benzonitrile (PubChem CID 16752714) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]benzonitrile
PubChem CID16752714
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]benzonitrile
SMILESCc1csc(Nc2ncccc2Oc2ccccc2C#N)n1
InChIInChI=1S/C16H12N4OS/c1-11-10-22-16(19-11)20-15-14(7-4-8-18-15)21-13-6-3-2-5-12(13)9-17/h2-8,10H,1H3,(H,18,19,20)
InChIKeyKPJJEXKLZAXHEE-UHFFFAOYSA-N
XLogP4.25
TPSA70.83 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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]benzonitrile?
The IUPAC name of 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]benzonitrile (CID 16752714) is 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]benzonitrile is Cc1csc(Nc2ncccc2Oc2ccccc2C#N)n1.
What is the InChIKey of 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]benzonitrile?
The InChIKey is KPJJEXKLZAXHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c1-11-10-22-16(19-11)20-15-14(7-4-8-18-15)21-13-6-3-2-5-12(13)9-17/h2-8,10H,1H3,(H,18,19,20).
What are the key properties of 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]benzonitrile?
2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]benzonitrile has a molecular weight of 308.37 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 16752714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).