3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxyimino]-5,7-dimethyl-1H-indol-2-one

C15H17N5O2S — CID 136518267

IUPAC3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxyimino]-5,7-dimethyl-1H-indol-2-one
SMILESCc1cc(C)c2c(c1)C(=NOCc1nsc(N(C)C)n1)C(=O)N2
InChIInChI=1S/C15H17N5O2S/c1-8-5-9(2)12-10(6-8)13(14(21)17-12)18-22-7-11-16-15(20(3)4)23-19-11/h5-6H,7H2,1-4H3,(H,17,18,21)
InChIKeyYHURZDQAMLSJDY-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.09
Rot. Bonds4

About 3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxyimino]-5,7-dimethyl-1H-indol-2-one

3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxyimino]-5,7-dimethyl-1H-indol-2-one (PubChem CID 136518267) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxyimino]-5,7-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxyimino]-5,7-dimethyl-1H-indol-2-one
PubChem CID136518267
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxyimino]-5,7-dimethyl-1H-indol-2-one
SMILESCc1cc(C)c2c(c1)C(=NOCc1nsc(N(C)C)n1)C(=O)N2
InChIInChI=1S/C15H17N5O2S/c1-8-5-9(2)12-10(6-8)13(14(21)17-12)18-22-7-11-16-15(20(3)4)23-19-11/h5-6H,7H2,1-4H3,(H,17,18,21)
InChIKeyYHURZDQAMLSJDY-UHFFFAOYSA-N
XLogP2.09
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxyimino]-5,7-dimethyl-1H-indol-2-one?
The IUPAC name of 3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxyimino]-5,7-dimethyl-1H-indol-2-one (CID 136518267) is 3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxyimino]-5,7-dimethyl-1H-indol-2-one.
What is the SMILES notation for 3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxyimino]-5,7-dimethyl-1H-indol-2-one?
The canonical SMILES for 3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxyimino]-5,7-dimethyl-1H-indol-2-one is Cc1cc(C)c2c(c1)C(=NOCc1nsc(N(C)C)n1)C(=O)N2.
What is the InChIKey of 3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxyimino]-5,7-dimethyl-1H-indol-2-one?
The InChIKey is YHURZDQAMLSJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-8-5-9(2)12-10(6-8)13(14(21)17-12)18-22-7-11-16-15(20(3)4)23-19-11/h5-6H,7H2,1-4H3,(H,17,18,21).
What are the key properties of 3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxyimino]-5,7-dimethyl-1H-indol-2-one?
3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxyimino]-5,7-dimethyl-1H-indol-2-one has a molecular weight of 331.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxyimino]-5,7-dimethyl-1H-indol-2-one is sourced from PubChem (CID 136518267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).