3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide

C11H13N3OS — CID 2805206

IUPAC3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide
SMILESCc1ccc(C)n1-c1ccsc1C(=O)NN
InChIInChI=1S/C11H13N3OS/c1-7-3-4-8(2)14(7)9-5-6-16-10(9)11(15)13-12/h3-6H,12H2,1-2H3,(H,13,15)
InChIKeyOJPXCOCLYNNCHS-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.76
Rot. Bonds2

About 3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide

3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide (PubChem CID 2805206) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide
PubChem CID2805206
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide
SMILESCc1ccc(C)n1-c1ccsc1C(=O)NN
InChIInChI=1S/C11H13N3OS/c1-7-3-4-8(2)14(7)9-5-6-16-10(9)11(15)13-12/h3-6H,12H2,1-2H3,(H,13,15)
InChIKeyOJPXCOCLYNNCHS-UHFFFAOYSA-N
XLogP1.76
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_E(5)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide
CID 6880392
3-(1H-pyrrol-1-yl)-N'-(2-thienylcarbonyl)-2-thiophenecarbohydrazide
CID 1481207
5-(2,5-Dimethylpyrrol-1-yl)thiophene-2-carbohydrazide
CID 2341869
4-(Isopropylsulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carbohydrazide
CID 2819591
4-Methyl-2-(2-thienyl)-1,3-thiazole-5-carbohydrazide
CID 2744029
2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-ol
CID 4360235
2-(2,5-Dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbohydrazide
CID 793168
3-(1H-pyrrol-1-yl)-N'-[(Z)-2-thienylmethylidene]-2-thiophenecarbohydrazide
CID 5524528
3-(1H-pyrrol-1-yl)-N'-[(E)-1-(2-thienyl)ethylidene]-2-thiophenecarbohydrazide
CID 5524794
N-(2,5-dimethylpyrrol-1-yl)thiophene-2-carboxamide
CID 468656
3-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-3-oxopropanenitrile
CID 1491246
N-methyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxamide
CID 3694864

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide (CID 2805206) is 3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide is Cc1ccc(C)n1-c1ccsc1C(=O)NN.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide?
The InChIKey is OJPXCOCLYNNCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-3-4-8(2)14(7)9-5-6-16-10(9)11(15)13-12/h3-6H,12H2,1-2H3,(H,13,15).
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide?
3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide has a molecular weight of 235.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide is sourced from PubChem (CID 2805206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).