4-(2-piperidin-4-yl-1,3-thiazol-4-yl)benzonitrile

C15H15N3S — CID 62540016

IUPAC4-(2-piperidin-4-yl-1,3-thiazol-4-yl)benzonitrile
SMILESN#Cc1ccc(-c2csc(C3CCNCC3)n2)cc1
InChIInChI=1S/C15H15N3S/c16-9-11-1-3-12(4-2-11)14-10-19-15(18-14)13-5-7-17-8-6-13/h1-4,10,13,17H,5-8H2
InChIKeyAQOZOLNHQQCRHL-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.15
Rot. Bonds2

About 4-(2-piperidin-4-yl-1,3-thiazol-4-yl)benzonitrile

4-(2-piperidin-4-yl-1,3-thiazol-4-yl)benzonitrile (PubChem CID 62540016) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-(2-piperidin-4-yl-1,3-thiazol-4-yl)benzonitrile.

Molecular Properties

Compound Name4-(2-piperidin-4-yl-1,3-thiazol-4-yl)benzonitrile
PubChem CID62540016
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name4-(2-piperidin-4-yl-1,3-thiazol-4-yl)benzonitrile
SMILESN#Cc1ccc(-c2csc(C3CCNCC3)n2)cc1
InChIInChI=1S/C15H15N3S/c16-9-11-1-3-12(4-2-11)14-10-19-15(18-14)13-5-7-17-8-6-13/h1-4,10,13,17H,5-8H2
InChIKeyAQOZOLNHQQCRHL-UHFFFAOYSA-N
XLogP3.15
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-4-yl-1,3-thiazol-4-yl)benzonitrile?
The IUPAC name of 4-(2-piperidin-4-yl-1,3-thiazol-4-yl)benzonitrile (CID 62540016) is 4-(2-piperidin-4-yl-1,3-thiazol-4-yl)benzonitrile.
What is the SMILES notation for 4-(2-piperidin-4-yl-1,3-thiazol-4-yl)benzonitrile?
The canonical SMILES for 4-(2-piperidin-4-yl-1,3-thiazol-4-yl)benzonitrile is N#Cc1ccc(-c2csc(C3CCNCC3)n2)cc1.
What is the InChIKey of 4-(2-piperidin-4-yl-1,3-thiazol-4-yl)benzonitrile?
The InChIKey is AQOZOLNHQQCRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c16-9-11-1-3-12(4-2-11)14-10-19-15(18-14)13-5-7-17-8-6-13/h1-4,10,13,17H,5-8H2.
What are the key properties of 4-(2-piperidin-4-yl-1,3-thiazol-4-yl)benzonitrile?
4-(2-piperidin-4-yl-1,3-thiazol-4-yl)benzonitrile has a molecular weight of 269.37 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-4-yl-1,3-thiazol-4-yl)benzonitrile is sourced from PubChem (CID 62540016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).