2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carbohydrazide

C13H17N3OS — CID 793168

IUPAC2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carbohydrazide
SMILESCc1sc(-n2c(C)ccc2C)c(C(=O)NN)c1C
InChIInChI=1S/C13H17N3OS/c1-7-5-6-8(2)16(7)13-11(12(17)15-14)9(3)10(4)18-13/h5-6H,14H2,1-4H3,(H,15,17)
InChIKeyLNTLPNPNMSADQK-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.38
Rot. Bonds2

About 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carbohydrazide

2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carbohydrazide (PubChem CID 793168) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carbohydrazide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carbohydrazide
PubChem CID793168
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carbohydrazide
SMILESCc1sc(-n2c(C)ccc2C)c(C(=O)NN)c1C
InChIInChI=1S/C13H17N3OS/c1-7-5-6-8(2)16(7)13-11(12(17)15-14)9(3)10(4)18-13/h5-6H,14H2,1-4H3,(H,15,17)
InChIKeyLNTLPNPNMSADQK-UHFFFAOYSA-N
XLogP2.38
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carbohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carbohydrazide?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carbohydrazide (CID 793168) is 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carbohydrazide.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carbohydrazide?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carbohydrazide is Cc1sc(-n2c(C)ccc2C)c(C(=O)NN)c1C.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carbohydrazide?
The InChIKey is LNTLPNPNMSADQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-7-5-6-8(2)16(7)13-11(12(17)15-14)9(3)10(4)18-13/h5-6H,14H2,1-4H3,(H,15,17).
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carbohydrazide?
2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carbohydrazide has a molecular weight of 263.37 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carbohydrazide is sourced from PubChem (CID 793168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).