2-pyrazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

C8H6F3N5OS — CID 141085092

IUPAC2-pyrazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cn1cccn1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H6F3N5OS/c9-8(10,11)6-14-15-7(18-6)13-5(17)4-16-3-1-2-12-16/h1-3H,4H2,(H,13,15,17)
InChIKeyROEMGNRVVVSQPA-UHFFFAOYSA-N
MW277.23 g/mol
LogP1.39
Rot. Bonds3

About 2-pyrazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-pyrazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 141085092) has the molecular formula C8H6F3N5OS and a molecular weight of 277.23 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID141085092
Molecular FormulaC8H6F3N5OS
Molecular Weight277.23 g/mol
Exact Mass277.02
IUPAC Name2-pyrazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cn1cccn1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H6F3N5OS/c9-8(10,11)6-14-15-7(18-6)13-5(17)4-16-3-1-2-12-16/h1-3H,4H2,(H,13,15,17)
InChIKeyROEMGNRVVVSQPA-UHFFFAOYSA-N
XLogP1.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-pyrazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 141085092) is 2-pyrazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-pyrazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-pyrazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cn1cccn1)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-pyrazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is ROEMGNRVVVSQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5OS/c9-8(10,11)6-14-15-7(18-6)13-5(17)4-16-3-1-2-12-16/h1-3H,4H2,(H,13,15,17).
What are the key properties of 2-pyrazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-pyrazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 277.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 141085092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).