2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide

C8H6F3N5OS — CID 6468237

IUPAC2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H6F3N5OS/c1-16-4(2-3-12-16)5(17)13-7-15-14-6(18-7)8(9,10)11/h2-3H,1H3,(H,13,15,17)
InChIKeyMVAFJQPMUXPXTC-UHFFFAOYSA-N
MW277.23 g/mol
LogP1.54
Rot. Bonds2

About 2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide

2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 6468237) has the molecular formula C8H6F3N5OS and a molecular weight of 277.23 g/mol. Its IUPAC name is 2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide
PubChem CID6468237
Molecular FormulaC8H6F3N5OS
Molecular Weight277.23 g/mol
Exact Mass277.02
IUPAC Name2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H6F3N5OS/c1-16-4(2-3-12-16)5(17)13-7-15-14-6(18-7)8(9,10)11/h2-3H,1H3,(H,13,15,17)
InChIKeyMVAFJQPMUXPXTC-UHFFFAOYSA-N
XLogP1.54
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide (CID 6468237) is 2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is MVAFJQPMUXPXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5OS/c1-16-4(2-3-12-16)5(17)13-7-15-14-6(18-7)8(9,10)11/h2-3H,1H3,(H,13,15,17).
What are the key properties of 2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide?
2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 277.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 6468237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).