N'-(2,2-dimethylpropanoyl)thieno[3,2-b]thiophene-5-carbohydrazide

C12H14N2O2S2 — CID 2739825

IUPACN'-(2,2-dimethylpropanoyl)thieno[3,2-b]thiophene-5-carbohydrazide
SMILESCC(C)(C)C(=O)NNC(=O)c1cc2sccc2s1
InChIInChI=1S/C12H14N2O2S2/c1-12(2,3)11(16)14-13-10(15)9-6-8-7(18-9)4-5-17-8/h4-6H,1-3H3,(H,13,15)(H,14,16)
InChIKeyCOIAZUFTUULJIZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.77
Rot. Bonds1

About N'-(2,2-dimethylpropanoyl)thieno[3,2-b]thiophene-5-carbohydrazide

N'-(2,2-dimethylpropanoyl)thieno[3,2-b]thiophene-5-carbohydrazide (PubChem CID 2739825) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N'-(2,2-dimethylpropanoyl)thieno[3,2-b]thiophene-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2,2-dimethylpropanoyl)thieno[3,2-b]thiophene-5-carbohydrazide
PubChem CID2739825
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC NameN'-(2,2-dimethylpropanoyl)thieno[3,2-b]thiophene-5-carbohydrazide
SMILESCC(C)(C)C(=O)NNC(=O)c1cc2sccc2s1
InChIInChI=1S/C12H14N2O2S2/c1-12(2,3)11(16)14-13-10(15)9-6-8-7(18-9)4-5-17-8/h4-6H,1-3H3,(H,13,15)(H,14,16)
InChIKeyCOIAZUFTUULJIZ-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethylpropanoyl)thieno[3,2-b]thiophene-5-carbohydrazide?
The IUPAC name of N'-(2,2-dimethylpropanoyl)thieno[3,2-b]thiophene-5-carbohydrazide (CID 2739825) is N'-(2,2-dimethylpropanoyl)thieno[3,2-b]thiophene-5-carbohydrazide.
What is the SMILES notation for N'-(2,2-dimethylpropanoyl)thieno[3,2-b]thiophene-5-carbohydrazide?
The canonical SMILES for N'-(2,2-dimethylpropanoyl)thieno[3,2-b]thiophene-5-carbohydrazide is CC(C)(C)C(=O)NNC(=O)c1cc2sccc2s1.
What is the InChIKey of N'-(2,2-dimethylpropanoyl)thieno[3,2-b]thiophene-5-carbohydrazide?
The InChIKey is COIAZUFTUULJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-12(2,3)11(16)14-13-10(15)9-6-8-7(18-9)4-5-17-8/h4-6H,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N'-(2,2-dimethylpropanoyl)thieno[3,2-b]thiophene-5-carbohydrazide?
N'-(2,2-dimethylpropanoyl)thieno[3,2-b]thiophene-5-carbohydrazide has a molecular weight of 282.39 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylpropanoyl)thieno[3,2-b]thiophene-5-carbohydrazide is sourced from PubChem (CID 2739825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).