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

C12H8F3N5O2S — CID 60507009

IUPAC5-(pyrazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C12H8F3N5O2S/c13-12(14,15)10-18-19-11(23-10)17-9(21)8-3-2-7(22-8)6-20-5-1-4-16-20/h1-5H,6H2,(H,17,19,21)
InChIKeyVNAOCMLIDDDFKO-UHFFFAOYSA-N
MW343.29 g/mol
LogP2.65
Rot. Bonds4

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

5-(pyrazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 60507009) has the molecular formula C12H8F3N5O2S and a molecular weight of 343.29 g/mol. Its IUPAC name is 5-(pyrazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(pyrazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID60507009
Molecular FormulaC12H8F3N5O2S
Molecular Weight343.29 g/mol
Exact Mass343.04
IUPAC Name5-(pyrazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C12H8F3N5O2S/c13-12(14,15)10-18-19-11(23-10)17-9(21)8-3-2-7(22-8)6-20-5-1-4-16-20/h1-5H,6H2,(H,17,19,21)
InChIKeyVNAOCMLIDDDFKO-UHFFFAOYSA-N
XLogP2.65
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of 5-(pyrazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 60507009) is 5-(pyrazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(pyrazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-(pyrazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(Cn2cccn2)o1.
What is the InChIKey of 5-(pyrazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is VNAOCMLIDDDFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5O2S/c13-12(14,15)10-18-19-11(23-10)17-9(21)8-3-2-7(22-8)6-20-5-1-4-16-20/h1-5H,6H2,(H,17,19,21).
What are the key properties of 5-(pyrazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
5-(pyrazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 343.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 60507009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).