7-fluoro-3-(1H-indol-6-ylamino)-2H-1,2,4-benzothiadiazin-5-ol

C15H11FN4OS — CID 129218079

IUPAC7-fluoro-3-(1H-indol-6-ylamino)-2H-1,2,4-benzothiadiazin-5-ol
SMILESOc1cc(F)cc2c1N=C(Nc1ccc3cc[nH]c3c1)NS2
InChIInChI=1S/C15H11FN4OS/c16-9-5-12(21)14-13(6-9)22-20-15(19-14)18-10-2-1-8-3-4-17-11(8)7-10/h1-7,17,21H,(H2,18,19,20)
InChIKeyVMAUQAPIUUDNFO-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.72
Rot. Bonds1

About 7-fluoro-3-(1H-indol-6-ylamino)-2H-1,2,4-benzothiadiazin-5-ol

7-fluoro-3-(1H-indol-6-ylamino)-2H-1,2,4-benzothiadiazin-5-ol (PubChem CID 129218079) has the molecular formula C15H11FN4OS and a molecular weight of 314.35 g/mol. Its IUPAC name is 7-fluoro-3-(1H-indol-6-ylamino)-2H-1,2,4-benzothiadiazin-5-ol.

Molecular Properties

Compound Name7-fluoro-3-(1H-indol-6-ylamino)-2H-1,2,4-benzothiadiazin-5-ol
PubChem CID129218079
Molecular FormulaC15H11FN4OS
Molecular Weight314.35 g/mol
Exact Mass314.06
IUPAC Name7-fluoro-3-(1H-indol-6-ylamino)-2H-1,2,4-benzothiadiazin-5-ol
SMILESOc1cc(F)cc2c1N=C(Nc1ccc3cc[nH]c3c1)NS2
InChIInChI=1S/C15H11FN4OS/c16-9-5-12(21)14-13(6-9)22-20-15(19-14)18-10-2-1-8-3-4-17-11(8)7-10/h1-7,17,21H,(H2,18,19,20)
InChIKeyVMAUQAPIUUDNFO-UHFFFAOYSA-N
XLogP3.72
TPSA72.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(1H-indol-6-ylamino)-2H-1,2,4-benzothiadiazin-5-ol?
The IUPAC name of 7-fluoro-3-(1H-indol-6-ylamino)-2H-1,2,4-benzothiadiazin-5-ol (CID 129218079) is 7-fluoro-3-(1H-indol-6-ylamino)-2H-1,2,4-benzothiadiazin-5-ol.
What is the SMILES notation for 7-fluoro-3-(1H-indol-6-ylamino)-2H-1,2,4-benzothiadiazin-5-ol?
The canonical SMILES for 7-fluoro-3-(1H-indol-6-ylamino)-2H-1,2,4-benzothiadiazin-5-ol is Oc1cc(F)cc2c1N=C(Nc1ccc3cc[nH]c3c1)NS2.
What is the InChIKey of 7-fluoro-3-(1H-indol-6-ylamino)-2H-1,2,4-benzothiadiazin-5-ol?
The InChIKey is VMAUQAPIUUDNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4OS/c16-9-5-12(21)14-13(6-9)22-20-15(19-14)18-10-2-1-8-3-4-17-11(8)7-10/h1-7,17,21H,(H2,18,19,20).
What are the key properties of 7-fluoro-3-(1H-indol-6-ylamino)-2H-1,2,4-benzothiadiazin-5-ol?
7-fluoro-3-(1H-indol-6-ylamino)-2H-1,2,4-benzothiadiazin-5-ol has a molecular weight of 314.35 g/mol, XLogP of 3.72, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(1H-indol-6-ylamino)-2H-1,2,4-benzothiadiazin-5-ol is sourced from PubChem (CID 129218079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).