4-[[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]amino]benzonitrile

C14H10N4OS — CID 167929287

IUPAC4-[[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]amino]benzonitrile
SMILESCc1ncoc1-c1csc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C14H10N4OS/c1-9-13(19-8-16-9)12-7-20-14(18-12)17-11-4-2-10(6-15)3-5-11/h2-5,7-8H,1H3,(H,17,18)
InChIKeyMLXXMLNPMISBOF-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.72
Rot. Bonds3

About 4-[[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]amino]benzonitrile

4-[[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]amino]benzonitrile (PubChem CID 167929287) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 4-[[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]amino]benzonitrile
PubChem CID167929287
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC Name4-[[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]amino]benzonitrile
SMILESCc1ncoc1-c1csc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C14H10N4OS/c1-9-13(19-8-16-9)12-7-20-14(18-12)17-11-4-2-10(6-15)3-5-11/h2-5,7-8H,1H3,(H,17,18)
InChIKeyMLXXMLNPMISBOF-UHFFFAOYSA-N
XLogP3.72
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]amino]benzonitrile?
The IUPAC name of 4-[[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]amino]benzonitrile (CID 167929287) is 4-[[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]amino]benzonitrile?
The canonical SMILES for 4-[[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]amino]benzonitrile is Cc1ncoc1-c1csc(Nc2ccc(C#N)cc2)n1.
What is the InChIKey of 4-[[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]amino]benzonitrile?
The InChIKey is MLXXMLNPMISBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c1-9-13(19-8-16-9)12-7-20-14(18-12)17-11-4-2-10(6-15)3-5-11/h2-5,7-8H,1H3,(H,17,18).
What are the key properties of 4-[[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]amino]benzonitrile?
4-[[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]amino]benzonitrile has a molecular weight of 282.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]amino]benzonitrile is sourced from PubChem (CID 167929287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).