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

C11H9ClN4OS — CID 80608795

IUPAC1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-chloro-3H-indol-2-one
SMILESNc1nnc(CN2C(=O)Cc3ccc(Cl)cc32)s1
InChIInChI=1S/C11H9ClN4OS/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,(H2,13,15)
InChIKeyFJARZBJKELMEIG-UHFFFAOYSA-N
MW280.74 g/mol
LogP1.86
Rot. Bonds2

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

1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-chloro-3H-indol-2-one (PubChem CID 80608795) has the molecular formula C11H9ClN4OS and a molecular weight of 280.74 g/mol. Its IUPAC name is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-chloro-3H-indol-2-one.

Molecular Properties

Compound Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-chloro-3H-indol-2-one
PubChem CID80608795
Molecular FormulaC11H9ClN4OS
Molecular Weight280.74 g/mol
Exact Mass280.02
IUPAC Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-chloro-3H-indol-2-one
SMILESNc1nnc(CN2C(=O)Cc3ccc(Cl)cc32)s1
InChIInChI=1S/C11H9ClN4OS/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,(H2,13,15)
InChIKeyFJARZBJKELMEIG-UHFFFAOYSA-N
XLogP1.86
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-chloro-3H-indol-2-one?
The IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-chloro-3H-indol-2-one (CID 80608795) is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-chloro-3H-indol-2-one.
What is the SMILES notation for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-chloro-3H-indol-2-one?
The canonical SMILES for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-chloro-3H-indol-2-one is Nc1nnc(CN2C(=O)Cc3ccc(Cl)cc32)s1.
What is the InChIKey of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-chloro-3H-indol-2-one?
The InChIKey is FJARZBJKELMEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4OS/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,(H2,13,15).
What are the key properties of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-chloro-3H-indol-2-one?
1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-chloro-3H-indol-2-one has a molecular weight of 280.74 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-chloro-3H-indol-2-one is sourced from PubChem (CID 80608795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).