1H-pyrrole;1,3-thiazole;hydrofluoride

C7H9FN2S — CID 161404495

IUPAC1H-pyrrole;1,3-thiazole;hydrofluoride
SMILESF.c1cc[nH]c1.c1cscn1
InChIInChI=1S/C4H5N.C3H3NS.FH/c1-2-4-5-3-1;1-2-5-3-4-1;/h1-5H;1-3H;1H
InChIKeyRSBKDZRGQMDNLO-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.31
Rot. Bonds

About 1H-pyrrole;1,3-thiazole;hydrofluoride

1H-pyrrole;1,3-thiazole;hydrofluoride (PubChem CID 161404495) has the molecular formula C7H9FN2S and a molecular weight of 172.23 g/mol. Its IUPAC name is 1H-pyrrole;1,3-thiazole;hydrofluoride.

Molecular Properties

Compound Name1H-pyrrole;1,3-thiazole;hydrofluoride
PubChem CID161404495
Molecular FormulaC7H9FN2S
Molecular Weight172.23 g/mol
Exact Mass172.05
IUPAC Name1H-pyrrole;1,3-thiazole;hydrofluoride
SMILESF.c1cc[nH]c1.c1cscn1
InChIInChI=1S/C4H5N.C3H3NS.FH/c1-2-4-5-3-1;1-2-5-3-4-1;/h1-5H;1-3H;1H
InChIKeyRSBKDZRGQMDNLO-UHFFFAOYSA-N
XLogP2.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1H-pyrrole;1,3-thiazole;hydrofluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrole;1,3-thiazole;hydrofluoride?
The IUPAC name of 1H-pyrrole;1,3-thiazole;hydrofluoride (CID 161404495) is 1H-pyrrole;1,3-thiazole;hydrofluoride.
What is the SMILES notation for 1H-pyrrole;1,3-thiazole;hydrofluoride?
The canonical SMILES for 1H-pyrrole;1,3-thiazole;hydrofluoride is F.c1cc[nH]c1.c1cscn1.
What is the InChIKey of 1H-pyrrole;1,3-thiazole;hydrofluoride?
The InChIKey is RSBKDZRGQMDNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C3H3NS.FH/c1-2-4-5-3-1;1-2-5-3-4-1;/h1-5H;1-3H;1H.
What are the key properties of 1H-pyrrole;1,3-thiazole;hydrofluoride?
1H-pyrrole;1,3-thiazole;hydrofluoride has a molecular weight of 172.23 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole;1,3-thiazole;hydrofluoride is sourced from PubChem (CID 161404495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).