N'-(2-methylpropanoyl)-4H-thieno[3,2-b]pyrrole-5-carbohydrazide

C11H13N3O2S — CID 146308203

IUPACN'-(2-methylpropanoyl)-4H-thieno[3,2-b]pyrrole-5-carbohydrazide
SMILESCC(C)C(=O)NNC(=O)c1cc2sccc2[nH]1
InChIInChI=1S/C11H13N3O2S/c1-6(2)10(15)13-14-11(16)8-5-9-7(12-8)3-4-17-9/h3-6,12H,1-2H3,(H,13,15)(H,14,16)
InChIKeyOPZHQXFGZSDCGV-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.65
Rot. Bonds2

About N'-(2-methylpropanoyl)-4H-thieno[3,2-b]pyrrole-5-carbohydrazide

N'-(2-methylpropanoyl)-4H-thieno[3,2-b]pyrrole-5-carbohydrazide (PubChem CID 146308203) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N'-(2-methylpropanoyl)-4H-thieno[3,2-b]pyrrole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methylpropanoyl)-4H-thieno[3,2-b]pyrrole-5-carbohydrazide
PubChem CID146308203
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN'-(2-methylpropanoyl)-4H-thieno[3,2-b]pyrrole-5-carbohydrazide
SMILESCC(C)C(=O)NNC(=O)c1cc2sccc2[nH]1
InChIInChI=1S/C11H13N3O2S/c1-6(2)10(15)13-14-11(16)8-5-9-7(12-8)3-4-17-9/h3-6,12H,1-2H3,(H,13,15)(H,14,16)
InChIKeyOPZHQXFGZSDCGV-UHFFFAOYSA-N
XLogP1.65
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-methylpropanoyl)-4H-thieno[3,2-b]pyrrole-5-carbohydrazide?
The IUPAC name of N'-(2-methylpropanoyl)-4H-thieno[3,2-b]pyrrole-5-carbohydrazide (CID 146308203) is N'-(2-methylpropanoyl)-4H-thieno[3,2-b]pyrrole-5-carbohydrazide.
What is the SMILES notation for N'-(2-methylpropanoyl)-4H-thieno[3,2-b]pyrrole-5-carbohydrazide?
The canonical SMILES for N'-(2-methylpropanoyl)-4H-thieno[3,2-b]pyrrole-5-carbohydrazide is CC(C)C(=O)NNC(=O)c1cc2sccc2[nH]1.
What is the InChIKey of N'-(2-methylpropanoyl)-4H-thieno[3,2-b]pyrrole-5-carbohydrazide?
The InChIKey is OPZHQXFGZSDCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-6(2)10(15)13-14-11(16)8-5-9-7(12-8)3-4-17-9/h3-6,12H,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N'-(2-methylpropanoyl)-4H-thieno[3,2-b]pyrrole-5-carbohydrazide?
N'-(2-methylpropanoyl)-4H-thieno[3,2-b]pyrrole-5-carbohydrazide has a molecular weight of 251.31 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropanoyl)-4H-thieno[3,2-b]pyrrole-5-carbohydrazide is sourced from PubChem (CID 146308203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).