5-[5-(difluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine

C6H5F2N5S — CID 171818983

IUPAC5-[5-(difluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-n2nccc2C(F)F)s1
InChIInChI=1S/C6H5F2N5S/c7-4(8)3-1-2-10-13(3)6-12-11-5(9)14-6/h1-2,4H,(H2,9,11)
InChIKeyAWRIKXOEUBBPKK-UHFFFAOYSA-N
MW217.20 g/mol
LogP1.24
Rot. Bonds2

About 5-[5-(difluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine

5-[5-(difluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 171818983) has the molecular formula C6H5F2N5S and a molecular weight of 217.20 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[5-(difluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine
PubChem CID171818983
Molecular FormulaC6H5F2N5S
Molecular Weight217.20 g/mol
Exact Mass217.02
IUPAC Name5-[5-(difluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-n2nccc2C(F)F)s1
InChIInChI=1S/C6H5F2N5S/c7-4(8)3-1-2-10-13(3)6-12-11-5(9)14-6/h1-2,4H,(H2,9,11)
InChIKeyAWRIKXOEUBBPKK-UHFFFAOYSA-N
XLogP1.24
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(Trifluoromethyl)pyrazole-1-carbothioamide
CID 87740592
3-(Trifluoromethyl)pyrazole-1-carbothioamide
CID 142767908
Bis[3-(trifluoromethyl)pyrazol-1-yl]methanimine
CID 161483532
2-[5-(Difluoromethyl)pyrazol-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 173589709
2-(5-Methylpyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 173589738
2-[5-(Difluoromethyl)pyrazol-1-yl]-5-methyl-1,3,4-thiadiazole
CID 173589747
2-Bromo-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazole
CID 64624340
N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 75505626
N-methyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608904
N-propyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608987
N-ethyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80609075
5-[[3-(Trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80609076

Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[5-(difluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine (CID 171818983) is 5-[5-(difluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[5-(difluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[5-(difluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine is Nc1nnc(-n2nccc2C(F)F)s1.
What is the InChIKey of 5-[5-(difluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is AWRIKXOEUBBPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N5S/c7-4(8)3-1-2-10-13(3)6-12-11-5(9)14-6/h1-2,4H,(H2,9,11).
What are the key properties of 5-[5-(difluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine?
5-[5-(difluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 217.20 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(difluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 171818983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).