4-[2-(2-fluoroethyl)-5-(1H-imidazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole

C10H9FN6S — CID 167782609

IUPAC4-[2-(2-fluoroethyl)-5-(1H-imidazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole
SMILESFCCn1nc(-c2ncc[nH]2)nc1-c1cscn1
InChIInChI=1S/C10H9FN6S/c11-1-4-17-10(7-5-18-6-14-7)15-9(16-17)8-12-2-3-13-8/h2-3,5-6H,1,4H2,(H,12,13)
InChIKeyZDISKTZPSVHBPU-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.76
Rot. Bonds4

About 4-[2-(2-fluoroethyl)-5-(1H-imidazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole

4-[2-(2-fluoroethyl)-5-(1H-imidazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole (PubChem CID 167782609) has the molecular formula C10H9FN6S and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-[2-(2-fluoroethyl)-5-(1H-imidazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(2-fluoroethyl)-5-(1H-imidazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole
PubChem CID167782609
Molecular FormulaC10H9FN6S
Molecular Weight264.29 g/mol
Exact Mass264.06
IUPAC Name4-[2-(2-fluoroethyl)-5-(1H-imidazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole
SMILESFCCn1nc(-c2ncc[nH]2)nc1-c1cscn1
InChIInChI=1S/C10H9FN6S/c11-1-4-17-10(7-5-18-6-14-7)15-9(16-17)8-12-2-3-13-8/h2-3,5-6H,1,4H2,(H,12,13)
InChIKeyZDISKTZPSVHBPU-UHFFFAOYSA-N
XLogP1.76
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluoroethyl)-5-(1H-imidazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole?
The IUPAC name of 4-[2-(2-fluoroethyl)-5-(1H-imidazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole (CID 167782609) is 4-[2-(2-fluoroethyl)-5-(1H-imidazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 4-[2-(2-fluoroethyl)-5-(1H-imidazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole?
The canonical SMILES for 4-[2-(2-fluoroethyl)-5-(1H-imidazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole is FCCn1nc(-c2ncc[nH]2)nc1-c1cscn1.
What is the InChIKey of 4-[2-(2-fluoroethyl)-5-(1H-imidazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole?
The InChIKey is ZDISKTZPSVHBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN6S/c11-1-4-17-10(7-5-18-6-14-7)15-9(16-17)8-12-2-3-13-8/h2-3,5-6H,1,4H2,(H,12,13).
What are the key properties of 4-[2-(2-fluoroethyl)-5-(1H-imidazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole?
4-[2-(2-fluoroethyl)-5-(1H-imidazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole has a molecular weight of 264.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluoroethyl)-5-(1H-imidazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 167782609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).