6-(1H-pyrrol-2-yl)-1,2,3-benzothiadiazole

C10H7N3S — CID 67415883

IUPAC6-(1H-pyrrol-2-yl)-1,2,3-benzothiadiazole
SMILESc1c[nH]c(-c2ccc3nnsc3c2)c1
InChIInChI=1S/C10H7N3S/c1-2-8(11-5-1)7-3-4-9-10(6-7)14-13-12-9/h1-6,11H
InChIKeyGOKFQCDZQXYMQC-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.69
Rot. Bonds1

About 6-(1H-pyrrol-2-yl)-1,2,3-benzothiadiazole

6-(1H-pyrrol-2-yl)-1,2,3-benzothiadiazole (PubChem CID 67415883) has the molecular formula C10H7N3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 6-(1H-pyrrol-2-yl)-1,2,3-benzothiadiazole.

Molecular Properties

Compound Name6-(1H-pyrrol-2-yl)-1,2,3-benzothiadiazole
PubChem CID67415883
Molecular FormulaC10H7N3S
Molecular Weight201.25 g/mol
Exact Mass201.04
IUPAC Name6-(1H-pyrrol-2-yl)-1,2,3-benzothiadiazole
SMILESc1c[nH]c(-c2ccc3nnsc3c2)c1
InChIInChI=1S/C10H7N3S/c1-2-8(11-5-1)7-3-4-9-10(6-7)14-13-12-9/h1-6,11H
InChIKeyGOKFQCDZQXYMQC-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1H-pyrrol-2-yl)-1,3-benzothiazole
CID 67416063
6-(1H-pyrrol-3-yl)-1,2,3-benzothiadiazole
CID 67415429
6-(1H-1,2,4-triazol-5-yl)-1,2,3-benzothiadiazole
CID 67417076
1,2,3-benzothiadiazole-6-carbonyl chloride
CID 154106567
3,6-bis(1H-pyrrol-2-yl)pyridazine
CID 102440417
2-(3,5-dibromophenyl)-1H-pyrrole
CID 14431153
2-(1H-pyrrol-2-yl)-6-[5-[3-[5-[6-(1H-pyrrol-2-yl)-2-pyridinyl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-2-yl]pyridine
CID 141356480
6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole
CID 137248275
2-(9H-fluoren-2-yl)-1H-pyrrole
CID 21095785
[2-chloro-4-(1H-pyrrol-2-yl)phenyl]methanamine
CID 103341668
2-(3-bromo-4-chlorophenyl)-1H-pyrrole;pyridine
CID 175305128
1-[3-(1H-pyrrol-2-yl)phenyl]propan-1-one
CID 103341584

Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrrol-2-yl)-1,2,3-benzothiadiazole?
The IUPAC name of 6-(1H-pyrrol-2-yl)-1,2,3-benzothiadiazole (CID 67415883) is 6-(1H-pyrrol-2-yl)-1,2,3-benzothiadiazole.
What is the SMILES notation for 6-(1H-pyrrol-2-yl)-1,2,3-benzothiadiazole?
The canonical SMILES for 6-(1H-pyrrol-2-yl)-1,2,3-benzothiadiazole is c1c[nH]c(-c2ccc3nnsc3c2)c1.
What is the InChIKey of 6-(1H-pyrrol-2-yl)-1,2,3-benzothiadiazole?
The InChIKey is GOKFQCDZQXYMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S/c1-2-8(11-5-1)7-3-4-9-10(6-7)14-13-12-9/h1-6,11H.
What are the key properties of 6-(1H-pyrrol-2-yl)-1,2,3-benzothiadiazole?
6-(1H-pyrrol-2-yl)-1,2,3-benzothiadiazole has a molecular weight of 201.25 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrrol-2-yl)-1,2,3-benzothiadiazole is sourced from PubChem (CID 67415883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).