2-(difluoromethyl)-5-pyrazol-1-yl-1,3,4-thiadiazole

C6H4F2N4S — CID 130563595

IUPAC2-(difluoromethyl)-5-pyrazol-1-yl-1,3,4-thiadiazole
SMILESFC(F)c1nnc(-n2cccn2)s1
InChIInChI=1S/C6H4F2N4S/c7-4(8)5-10-11-6(13-5)12-3-1-2-9-12/h1-4H
InChIKeyMWBBYUCISDFFAT-UHFFFAOYSA-N
MW202.19 g/mol
LogP1.66
Rot. Bonds2

About 2-(difluoromethyl)-5-pyrazol-1-yl-1,3,4-thiadiazole

2-(difluoromethyl)-5-pyrazol-1-yl-1,3,4-thiadiazole (PubChem CID 130563595) has the molecular formula C6H4F2N4S and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-pyrazol-1-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-pyrazol-1-yl-1,3,4-thiadiazole
PubChem CID130563595
Molecular FormulaC6H4F2N4S
Molecular Weight202.19 g/mol
Exact Mass202.01
IUPAC Name2-(difluoromethyl)-5-pyrazol-1-yl-1,3,4-thiadiazole
SMILESFC(F)c1nnc(-n2cccn2)s1
InChIInChI=1S/C6H4F2N4S/c7-4(8)5-10-11-6(13-5)12-3-1-2-9-12/h1-4H
InChIKeyMWBBYUCISDFFAT-UHFFFAOYSA-N
XLogP1.66
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-pyrazol-1-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(difluoromethyl)-5-pyrazol-1-yl-1,3,4-thiadiazole (CID 130563595) is 2-(difluoromethyl)-5-pyrazol-1-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-pyrazol-1-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-pyrazol-1-yl-1,3,4-thiadiazole is FC(F)c1nnc(-n2cccn2)s1.
What is the InChIKey of 2-(difluoromethyl)-5-pyrazol-1-yl-1,3,4-thiadiazole?
The InChIKey is MWBBYUCISDFFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N4S/c7-4(8)5-10-11-6(13-5)12-3-1-2-9-12/h1-4H.
What are the key properties of 2-(difluoromethyl)-5-pyrazol-1-yl-1,3,4-thiadiazole?
2-(difluoromethyl)-5-pyrazol-1-yl-1,3,4-thiadiazole has a molecular weight of 202.19 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-pyrazol-1-yl-1,3,4-thiadiazole is sourced from PubChem (CID 130563595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).