6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluoro-1H-indole-2,3-dione

C12H9FN4O2S2 — CID 80747227

IUPAC6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluoro-1H-indole-2,3-dione
SMILESCN(C)c1nnc(Sc2cc3c(cc2F)C(=O)C(=O)N3)s1
InChIInChI=1S/C12H9FN4O2S2/c1-17(2)11-15-16-12(21-11)20-8-4-7-5(3-6(8)13)9(18)10(19)14-7/h3-4H,1-2H3,(H,14,18,19)
InChIKeyGPERXHKSLSGZRY-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.03
Rot. Bonds3

About 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluoro-1H-indole-2,3-dione

6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluoro-1H-indole-2,3-dione (PubChem CID 80747227) has the molecular formula C12H9FN4O2S2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluoro-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluoro-1H-indole-2,3-dione
PubChem CID80747227
Molecular FormulaC12H9FN4O2S2
Molecular Weight324.36 g/mol
Exact Mass324.02
IUPAC Name6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluoro-1H-indole-2,3-dione
SMILESCN(C)c1nnc(Sc2cc3c(cc2F)C(=O)C(=O)N3)s1
InChIInChI=1S/C12H9FN4O2S2/c1-17(2)11-15-16-12(21-11)20-8-4-7-5(3-6(8)13)9(18)10(19)14-7/h3-4H,1-2H3,(H,14,18,19)
InChIKeyGPERXHKSLSGZRY-UHFFFAOYSA-N
XLogP2.03
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluoro-1H-indole-2,3-dione with MolForge

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Related Compounds

6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoro-1H-indole-2,3-dione
CID 80746831
6-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-5-fluoro-1H-indole-2,3-dione
CID 80747226
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoro-1H-indole-2,3-dione
CID 80757955
5-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-indole-2,3-dione
CID 80758041
5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1H-indole-2,3-dione
CID 80758044
5-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1H-indole-2,3-dione
CID 80758126
5-fluoro-6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione
CID 80758749
5-fluoro-6-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-indole-2,3-dione
CID 80758922
5-fluoro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 80759175
5-fluoro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-indole-2,3-dione
CID 104603273
5-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 115383087
6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione
CID 43586482

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluoro-1H-indole-2,3-dione?
The IUPAC name of 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluoro-1H-indole-2,3-dione (CID 80747227) is 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluoro-1H-indole-2,3-dione.
What is the SMILES notation for 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluoro-1H-indole-2,3-dione?
The canonical SMILES for 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluoro-1H-indole-2,3-dione is CN(C)c1nnc(Sc2cc3c(cc2F)C(=O)C(=O)N3)s1.
What is the InChIKey of 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluoro-1H-indole-2,3-dione?
The InChIKey is GPERXHKSLSGZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O2S2/c1-17(2)11-15-16-12(21-11)20-8-4-7-5(3-6(8)13)9(18)10(19)14-7/h3-4H,1-2H3,(H,14,18,19).
What are the key properties of 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluoro-1H-indole-2,3-dione?
6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluoro-1H-indole-2,3-dione has a molecular weight of 324.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluoro-1H-indole-2,3-dione is sourced from PubChem (CID 80747227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).