4-cyano-3-methyl-5-phenylthiophene-2-carbohydrazide

C13H11N3OS — CID 838334

IUPAC4-cyano-3-methyl-5-phenylthiophene-2-carbohydrazide
SMILESCc1c(C(=O)NN)sc(-c2ccccc2)c1C#N
InChIInChI=1S/C13H11N3OS/c1-8-10(7-14)12(9-5-3-2-4-6-9)18-11(8)13(17)16-15/h2-6H,15H2,1H3,(H,16,17)
InChIKeyYGTYXANKYHXEBS-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.20
Rot. Bonds2

About 4-cyano-3-methyl-5-phenylthiophene-2-carbohydrazide

4-cyano-3-methyl-5-phenylthiophene-2-carbohydrazide (PubChem CID 838334) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-cyano-3-methyl-5-phenylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-cyano-3-methyl-5-phenylthiophene-2-carbohydrazide
PubChem CID838334
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name4-cyano-3-methyl-5-phenylthiophene-2-carbohydrazide
SMILESCc1c(C(=O)NN)sc(-c2ccccc2)c1C#N
InChIInChI=1S/C13H11N3OS/c1-8-10(7-14)12(9-5-3-2-4-6-9)18-11(8)13(17)16-15/h2-6H,15H2,1H3,(H,16,17)
InChIKeyYGTYXANKYHXEBS-UHFFFAOYSA-N
XLogP2.20
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.20
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'}

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Related Compounds

5-Methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 4961736
N'-benzoylthiophene-2-carbohydrazide
CID 790437
1-Benzothiophene-2-carbohydrazide
CID 519437
4-Cyano-3-methyl-5-(4-methylphenyl)-2-thiophenecarbohydrazide
CID 793865
N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 922960
N'-(2-fluorobenzoyl)-3-methylthiophene-2-carbohydrazide
CID 2511029
N'-(4-fluorobenzoyl)-2,5-dimethylthiophene-3-carbohydrazide
CID 9105676
Thiophene-2-carbohydrazide, N2-(diphenylacetyl)-
CID 574179
2-Fluoro-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 793919
4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carbohydrazide
CID 3852288
N'-(3-fluorobenzoyl)thiophene-2-carbohydrazide
CID 793920
N'-[(4-methylphenyl)carbonyl]thiophene-2-carbohydrazide
CID 809165

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-methyl-5-phenylthiophene-2-carbohydrazide?
The IUPAC name of 4-cyano-3-methyl-5-phenylthiophene-2-carbohydrazide (CID 838334) is 4-cyano-3-methyl-5-phenylthiophene-2-carbohydrazide.
What is the SMILES notation for 4-cyano-3-methyl-5-phenylthiophene-2-carbohydrazide?
The canonical SMILES for 4-cyano-3-methyl-5-phenylthiophene-2-carbohydrazide is Cc1c(C(=O)NN)sc(-c2ccccc2)c1C#N.
What is the InChIKey of 4-cyano-3-methyl-5-phenylthiophene-2-carbohydrazide?
The InChIKey is YGTYXANKYHXEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-8-10(7-14)12(9-5-3-2-4-6-9)18-11(8)13(17)16-15/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 4-cyano-3-methyl-5-phenylthiophene-2-carbohydrazide?
4-cyano-3-methyl-5-phenylthiophene-2-carbohydrazide has a molecular weight of 257.32 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-methyl-5-phenylthiophene-2-carbohydrazide is sourced from PubChem (CID 838334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).