7-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]indole-2,3-dione

C11H5Cl2N3O2S — CID 80611053

IUPAC7-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2nnc(Cl)s2)c2c(Cl)cccc21
InChIInChI=1S/C11H5Cl2N3O2S/c12-6-3-1-2-5-8(6)16(10(18)9(5)17)4-7-14-15-11(13)19-7/h1-3H,4H2
InChIKeyQSUZXEGEACNIGY-UHFFFAOYSA-N
MW314.15 g/mol
LogP2.57
Rot. Bonds2

About 7-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]indole-2,3-dione

7-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]indole-2,3-dione (PubChem CID 80611053) has the molecular formula C11H5Cl2N3O2S and a molecular weight of 314.15 g/mol. Its IUPAC name is 7-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name7-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]indole-2,3-dione
PubChem CID80611053
Molecular FormulaC11H5Cl2N3O2S
Molecular Weight314.15 g/mol
Exact Mass312.95
IUPAC Name7-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2nnc(Cl)s2)c2c(Cl)cccc21
InChIInChI=1S/C11H5Cl2N3O2S/c12-6-3-1-2-5-8(6)16(10(18)9(5)17)4-7-14-15-11(13)19-7/h1-3H,4H2
InChIKeyQSUZXEGEACNIGY-UHFFFAOYSA-N
XLogP2.57
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-Chloro-1,3,4-thiadiazol-2-yl)methyl]-5-fluoroindole-2,3-dione
CID 80609205
1-[(5-Chloro-1,3,4-thiadiazol-2-yl)methyl]-7-fluoroindole-2,3-dione
CID 80609214
1-[(5-Chloro-1,3,4-thiadiazol-2-yl)methyl]-5,7-difluoroindole-2,3-dione
CID 80611181
5-Chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-6-fluoroindole-2,3-dione
CID 80611185
1-[(5-Chloro-1,3,4-thiadiazol-2-yl)methyl]-7-fluoro-5-methylindole-2,3-dione
CID 80611312
1-[(5-Chloro-1,3,4-thiadiazol-2-yl)methyl]-6-fluoroindole-2,3-dione
CID 80611589
4-Chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-7-fluoroindole-2,3-dione
CID 80611593
1-[(5-Chloro-1,3,4-thiadiazol-2-yl)methyl]-4,6-difluoroindole-2,3-dione
CID 80611736
1-[(5-Chloro-1,3,4-thiadiazol-2-yl)methyl]-5,6-difluoroindole-2,3-dione
CID 80746566
1-[(5-Chloro-1,3,4-thiadiazol-2-yl)methyl]-4,7-difluoroindole-2,3-dione
CID 83215944
1-[(5-Chloro-1,3,4-thiadiazol-2-yl)methyl]-5-fluoro-7-methylindole-2,3-dione
CID 106893521
5-Chloro-1-[(5-chlorothiadiazol-4-yl)methyl]indole-2,3-dione
CID 43625581

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]indole-2,3-dione?
The IUPAC name of 7-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]indole-2,3-dione (CID 80611053) is 7-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 7-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]indole-2,3-dione?
The canonical SMILES for 7-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]indole-2,3-dione is O=C1C(=O)N(Cc2nnc(Cl)s2)c2c(Cl)cccc21.
What is the InChIKey of 7-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]indole-2,3-dione?
The InChIKey is QSUZXEGEACNIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2N3O2S/c12-6-3-1-2-5-8(6)16(10(18)9(5)17)4-7-14-15-11(13)19-7/h1-3H,4H2.
What are the key properties of 7-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]indole-2,3-dione?
7-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]indole-2,3-dione has a molecular weight of 314.15 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 80611053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).