2-(2-piperidin-2-yl-1H-imidazol-5-yl)-1,3-thiazole

C11H14N4S — CID 64992969

IUPAC2-(2-piperidin-2-yl-1H-imidazol-5-yl)-1,3-thiazole
SMILESc1csc(-c2cnc(C3CCCCN3)[nH]2)n1
InChIInChI=1S/C11H14N4S/c1-2-4-12-8(3-1)10-14-7-9(15-10)11-13-5-6-16-11/h5-8,12H,1-4H2,(H,14,15)
InChIKeyZWDJZRJOZLCLCY-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.35
Rot. Bonds2

About 2-(2-piperidin-2-yl-1H-imidazol-5-yl)-1,3-thiazole

2-(2-piperidin-2-yl-1H-imidazol-5-yl)-1,3-thiazole (PubChem CID 64992969) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 2-(2-piperidin-2-yl-1H-imidazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-piperidin-2-yl-1H-imidazol-5-yl)-1,3-thiazole
PubChem CID64992969
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name2-(2-piperidin-2-yl-1H-imidazol-5-yl)-1,3-thiazole
SMILESc1csc(-c2cnc(C3CCCCN3)[nH]2)n1
InChIInChI=1S/C11H14N4S/c1-2-4-12-8(3-1)10-14-7-9(15-10)11-13-5-6-16-11/h5-8,12H,1-4H2,(H,14,15)
InChIKeyZWDJZRJOZLCLCY-UHFFFAOYSA-N
XLogP2.35
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-2-yl-1H-imidazol-5-yl)-1,3-thiazole?
The IUPAC name of 2-(2-piperidin-2-yl-1H-imidazol-5-yl)-1,3-thiazole (CID 64992969) is 2-(2-piperidin-2-yl-1H-imidazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-piperidin-2-yl-1H-imidazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-piperidin-2-yl-1H-imidazol-5-yl)-1,3-thiazole is c1csc(-c2cnc(C3CCCCN3)[nH]2)n1.
What is the InChIKey of 2-(2-piperidin-2-yl-1H-imidazol-5-yl)-1,3-thiazole?
The InChIKey is ZWDJZRJOZLCLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-2-4-12-8(3-1)10-14-7-9(15-10)11-13-5-6-16-11/h5-8,12H,1-4H2,(H,14,15).
What are the key properties of 2-(2-piperidin-2-yl-1H-imidazol-5-yl)-1,3-thiazole?
2-(2-piperidin-2-yl-1H-imidazol-5-yl)-1,3-thiazole has a molecular weight of 234.33 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-2-yl-1H-imidazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 64992969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).