2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole

C10H13N5S — CID 67028250

IUPAC2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole
SMILESc1csc(-c2n[nH]c(C3CCNCC3)n2)n1
InChIInChI=1S/C10H13N5S/c1-3-11-4-2-7(1)8-13-9(15-14-8)10-12-5-6-16-10/h5-7,11H,1-4H2,(H,13,14,15)
InChIKeyIWWPESYRIBGLNV-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.40
Rot. Bonds2

About 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole

2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole (PubChem CID 67028250) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole
PubChem CID67028250
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole
SMILESc1csc(-c2n[nH]c(C3CCNCC3)n2)n1
InChIInChI=1S/C10H13N5S/c1-3-11-4-2-7(1)8-13-9(15-14-8)10-12-5-6-16-10/h5-7,11H,1-4H2,(H,13,14,15)
InChIKeyIWWPESYRIBGLNV-UHFFFAOYSA-N
XLogP1.40
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole?
The IUPAC name of 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole (CID 67028250) is 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole is c1csc(-c2n[nH]c(C3CCNCC3)n2)n1.
What is the InChIKey of 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole?
The InChIKey is IWWPESYRIBGLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-3-11-4-2-7(1)8-13-9(15-14-8)10-12-5-6-16-10/h5-7,11H,1-4H2,(H,13,14,15).
What are the key properties of 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole?
2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole has a molecular weight of 235.32 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole is sourced from PubChem (CID 67028250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).