5-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyridine-2-carbonitrile

C22H16N4OS — CID 177379299

IUPAC5-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)cn1
InChIInChI=1S/C22H16N4OS/c23-12-17-8-9-18(13-24-17)25-14-21-15-26-22(28-21)16-6-10-20(11-7-16)27-19-4-2-1-3-5-19/h1-11,13,15,25H,14H2
InChIKeyJRYOYFYJNZGRDT-UHFFFAOYSA-N
MW384.46 g/mol
LogP5.48
Rot. Bonds6

About 5-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyridine-2-carbonitrile

5-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyridine-2-carbonitrile (PubChem CID 177379299) has the molecular formula C22H16N4OS and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyridine-2-carbonitrile
PubChem CID177379299
Molecular FormulaC22H16N4OS
Molecular Weight384.46 g/mol
Exact Mass384.10
IUPAC Name5-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)cn1
InChIInChI=1S/C22H16N4OS/c23-12-17-8-9-18(13-24-17)25-14-21-15-26-22(28-21)16-6-10-20(11-7-16)27-19-4-2-1-3-5-19/h1-11,13,15,25H,14H2
InChIKeyJRYOYFYJNZGRDT-UHFFFAOYSA-N
XLogP5.48
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.46
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyridine-2-carbonitrile (CID 177379299) is 5-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyridine-2-carbonitrile is N#Cc1ccc(NCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)cn1.
What is the InChIKey of 5-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyridine-2-carbonitrile?
The InChIKey is JRYOYFYJNZGRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4OS/c23-12-17-8-9-18(13-24-17)25-14-21-15-26-22(28-21)16-6-10-20(11-7-16)27-19-4-2-1-3-5-19/h1-11,13,15,25H,14H2.
What are the key properties of 5-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyridine-2-carbonitrile?
5-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyridine-2-carbonitrile has a molecular weight of 384.46 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 177379299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).