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

C6H4F2N4S — CID 167860926

IUPAC2-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole
SMILESFC(F)c1nc(-c2nccs2)n[nH]1
InChIInChI=1S/C6H4F2N4S/c7-3(8)4-10-5(12-11-4)6-9-1-2-13-6/h1-3H,(H,10,11,12)
InChIKeyOAFZXLBVODYKHO-UHFFFAOYSA-N
MW202.19 g/mol
LogP1.87
Rot. Bonds2

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

2-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole (PubChem CID 167860926) has the molecular formula C6H4F2N4S and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole
PubChem CID167860926
Molecular FormulaC6H4F2N4S
Molecular Weight202.19 g/mol
Exact Mass202.01
IUPAC Name2-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole
SMILESFC(F)c1nc(-c2nccs2)n[nH]1
InChIInChI=1S/C6H4F2N4S/c7-3(8)4-10-5(12-11-4)6-9-1-2-13-6/h1-3H,(H,10,11,12)
InChIKeyOAFZXLBVODYKHO-UHFFFAOYSA-N
XLogP1.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole?
The IUPAC name of 2-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole (CID 167860926) is 2-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole is FC(F)c1nc(-c2nccs2)n[nH]1.
What is the InChIKey of 2-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole?
The InChIKey is OAFZXLBVODYKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N4S/c7-3(8)4-10-5(12-11-4)6-9-1-2-13-6/h1-3H,(H,10,11,12).
What are the key properties of 2-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole?
2-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole has a molecular weight of 202.19 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 167860926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).