6-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3H-indol-2-one

C11H7Cl2N3OS — CID 80610232

IUPAC6-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3H-indol-2-one
SMILESO=C1Cc2ccc(Cl)cc2N1Cc1nnc(Cl)s1
InChIInChI=1S/C11H7Cl2N3OS/c12-7-2-1-6-3-10(17)16(8(6)4-7)5-9-14-15-11(13)18-9/h1-2,4H,3,5H2
InChIKeyIRXBKSSUDQGNGH-UHFFFAOYSA-N
MW300.17 g/mol
LogP2.93
Rot. Bonds2

About 6-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3H-indol-2-one

6-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3H-indol-2-one (PubChem CID 80610232) has the molecular formula C11H7Cl2N3OS and a molecular weight of 300.17 g/mol. Its IUPAC name is 6-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name6-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3H-indol-2-one
PubChem CID80610232
Molecular FormulaC11H7Cl2N3OS
Molecular Weight300.17 g/mol
Exact Mass298.97
IUPAC Name6-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3H-indol-2-one
SMILESO=C1Cc2ccc(Cl)cc2N1Cc1nnc(Cl)s1
InChIInChI=1S/C11H7Cl2N3OS/c12-7-2-1-6-3-10(17)16(8(6)4-7)5-9-14-15-11(13)18-9/h1-2,4H,3,5H2
InChIKeyIRXBKSSUDQGNGH-UHFFFAOYSA-N
XLogP2.93
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-7-fluoroindole-2,3-dione
CID 80611593
(3Z)-3-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]imino]-1-prop-2-enylindol-2-one
CID 54613311
6-chloro-1-[(5-chlorothiadiazol-4-yl)methyl]-3H-indol-2-one
CID 43625589
6-chloro-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-3H-indol-2-one
CID 80608621
6-chloro-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-3H-indol-2-one
CID 80608710
1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-chloro-3H-indol-2-one
CID 80608795
4-Chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]indole-2,3-dione
CID 80609208
5-Chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]indole-2,3-dione
CID 80609546
6-Chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]indole-2,3-dione
CID 80609551
1-[(5-Chloro-1,3,4-thiadiazol-2-yl)methyl]-3,3-dimethylindol-2-one
CID 80609559
7-Chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]indole-2,3-dione
CID 80611053
6-chloro-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]-3H-indol-2-one
CID 80611949

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3H-indol-2-one?
The IUPAC name of 6-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3H-indol-2-one (CID 80610232) is 6-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3H-indol-2-one.
What is the SMILES notation for 6-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3H-indol-2-one?
The canonical SMILES for 6-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3H-indol-2-one is O=C1Cc2ccc(Cl)cc2N1Cc1nnc(Cl)s1.
What is the InChIKey of 6-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3H-indol-2-one?
The InChIKey is IRXBKSSUDQGNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3OS/c12-7-2-1-6-3-10(17)16(8(6)4-7)5-9-14-15-11(13)18-9/h1-2,4H,3,5H2.
What are the key properties of 6-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3H-indol-2-one?
6-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3H-indol-2-one has a molecular weight of 300.17 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3H-indol-2-one is sourced from PubChem (CID 80610232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).