3H-pyrrolo[3,2-e][2,1,3]benzothiadiazole

C8H5N3S — CID 146680962

IUPAC3H-pyrrolo[3,2-e][2,1,3]benzothiadiazole
SMILESc1cc2c(ccc3[nH]snc32)n1
InChIInChI=1S/C8H5N3S/c1-2-7-8(11-12-10-7)5-3-4-9-6(1)5/h1-4,10H
InChIKeyFASGFDYDQKCBLF-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.17
Rot. Bonds

About 3H-pyrrolo[3,2-e][2,1,3]benzothiadiazole

3H-pyrrolo[3,2-e][2,1,3]benzothiadiazole (PubChem CID 146680962) has the molecular formula C8H5N3S and a molecular weight of 175.22 g/mol. Its IUPAC name is 3H-pyrrolo[3,2-e][2,1,3]benzothiadiazole.

Molecular Properties

Compound Name3H-pyrrolo[3,2-e][2,1,3]benzothiadiazole
PubChem CID146680962
Molecular FormulaC8H5N3S
Molecular Weight175.22 g/mol
Exact Mass175.02
IUPAC Name3H-pyrrolo[3,2-e][2,1,3]benzothiadiazole
SMILESc1cc2c(ccc3[nH]snc32)n1
InChIInChI=1S/C8H5N3S/c1-2-7-8(11-12-10-7)5-3-4-9-6(1)5/h1-4,10H
InChIKeyFASGFDYDQKCBLF-UHFFFAOYSA-N
XLogP2.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Pyrrolo[2,3-c]carbazole
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CID 21252023
Pyrroloindole
CID 66734115
Dipyrrolopyridine
CID 67281483
4-Aminopyrrolobenzimidazole
CID 129752840
1,2,5-Selenadiazolo[3,4-e]indole
CID 129782180
Aminopyrrolobenzofurazan
CID 129792651
Pyrrolobenzofurazan
CID 129792812
5,6-Dihydroindol-4-imine
CID 57269353
4,8,11-Triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,9,11-hexaene
CID 68522367
1,4-Dihydropyrrolo[3,2-b]carbazole
CID 140311186

Frequently Asked Questions

What is the IUPAC name of 3H-pyrrolo[3,2-e][2,1,3]benzothiadiazole?
The IUPAC name of 3H-pyrrolo[3,2-e][2,1,3]benzothiadiazole (CID 146680962) is 3H-pyrrolo[3,2-e][2,1,3]benzothiadiazole.
What is the SMILES notation for 3H-pyrrolo[3,2-e][2,1,3]benzothiadiazole?
The canonical SMILES for 3H-pyrrolo[3,2-e][2,1,3]benzothiadiazole is c1cc2c(ccc3[nH]snc32)n1.
What is the InChIKey of 3H-pyrrolo[3,2-e][2,1,3]benzothiadiazole?
The InChIKey is FASGFDYDQKCBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3S/c1-2-7-8(11-12-10-7)5-3-4-9-6(1)5/h1-4,10H.
What are the key properties of 3H-pyrrolo[3,2-e][2,1,3]benzothiadiazole?
3H-pyrrolo[3,2-e][2,1,3]benzothiadiazole has a molecular weight of 175.22 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrolo[3,2-e][2,1,3]benzothiadiazole is sourced from PubChem (CID 146680962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).