4-acetyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide

C10H8F2N4O2S — CID 47076939

IUPAC4-acetyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2nnc(C(F)F)s2)c1
InChIInChI=1S/C10H8F2N4O2S/c1-4(17)5-2-6(13-3-5)8(18)14-10-16-15-9(19-10)7(11)12/h2-3,7,13H,1H3,(H,14,16,18)
InChIKeyNIFGWNGKHAPRSJ-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.26
Rot. Bonds4

About 4-acetyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide

4-acetyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide (PubChem CID 47076939) has the molecular formula C10H8F2N4O2S and a molecular weight of 286.26 g/mol. Its IUPAC name is 4-acetyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide
PubChem CID47076939
Molecular FormulaC10H8F2N4O2S
Molecular Weight286.26 g/mol
Exact Mass286.03
IUPAC Name4-acetyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2nnc(C(F)F)s2)c1
InChIInChI=1S/C10H8F2N4O2S/c1-4(17)5-2-6(13-3-5)8(18)14-10-16-15-9(19-10)7(11)12/h2-3,7,13H,1H3,(H,14,16,18)
InChIKeyNIFGWNGKHAPRSJ-UHFFFAOYSA-N
XLogP2.26
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide (CID 47076939) is 4-acetyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)Nc2nnc(C(F)F)s2)c1.
What is the InChIKey of 4-acetyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is NIFGWNGKHAPRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O2S/c1-4(17)5-2-6(13-3-5)8(18)14-10-16-15-9(19-10)7(11)12/h2-3,7,13H,1H3,(H,14,16,18).
What are the key properties of 4-acetyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 286.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47076939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).