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

C10H15Cl2N5S — CID 67028444

IUPAC2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1csc(-c2n[nH]c(C3CCNCC3)n2)n1
InChIInChI=1S/C10H13N5S.2ClH/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);2*1H
InChIKeyIDYBGIGZOOOLCJ-UHFFFAOYSA-N
MW308.24 g/mol
LogP2.24
Rot. Bonds2

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

2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole;dihydrochloride (PubChem CID 67028444) has the molecular formula C10H15Cl2N5S and a molecular weight of 308.24 g/mol. Its IUPAC name is 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole;dihydrochloride
PubChem CID67028444
Molecular FormulaC10H15Cl2N5S
Molecular Weight308.24 g/mol
Exact Mass307.04
IUPAC Name2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1csc(-c2n[nH]c(C3CCNCC3)n2)n1
InChIInChI=1S/C10H13N5S.2ClH/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);2*1H
InChIKeyIDYBGIGZOOOLCJ-UHFFFAOYSA-N
XLogP2.24
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 52.24
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;dihydrochloride?
The IUPAC name of 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole;dihydrochloride (CID 67028444) is 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole;dihydrochloride?
The canonical SMILES for 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole;dihydrochloride is Cl.Cl.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;dihydrochloride?
The InChIKey is IDYBGIGZOOOLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S.2ClH/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);2*1H.
What are the key properties of 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole;dihydrochloride?
2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole;dihydrochloride has a molecular weight of 308.24 g/mol, XLogP of 2.24, 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;dihydrochloride is sourced from PubChem (CID 67028444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).