4-cyano-3-methyl-5-(4-methylphenyl)thiophene-2-carbohydrazide

C14H13N3OS — CID 793865

IUPAC4-cyano-3-methyl-5-(4-methylphenyl)thiophene-2-carbohydrazide
SMILESCc1ccc(-c2sc(C(=O)NN)c(C)c2C#N)cc1
InChIInChI=1S/C14H13N3OS/c1-8-3-5-10(6-4-8)13-11(7-15)9(2)12(19-13)14(18)17-16/h3-6H,16H2,1-2H3,(H,17,18)
InChIKeyPPMYPMZSKXINOE-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.51
Rot. Bonds2

About 4-cyano-3-methyl-5-(4-methylphenyl)thiophene-2-carbohydrazide

4-cyano-3-methyl-5-(4-methylphenyl)thiophene-2-carbohydrazide (PubChem CID 793865) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-cyano-3-methyl-5-(4-methylphenyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-cyano-3-methyl-5-(4-methylphenyl)thiophene-2-carbohydrazide
PubChem CID793865
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name4-cyano-3-methyl-5-(4-methylphenyl)thiophene-2-carbohydrazide
SMILESCc1ccc(-c2sc(C(=O)NN)c(C)c2C#N)cc1
InChIInChI=1S/C14H13N3OS/c1-8-3-5-10(6-4-8)13-11(7-15)9(2)12(19-13)14(18)17-16/h3-6H,16H2,1-2H3,(H,17,18)
InChIKeyPPMYPMZSKXINOE-UHFFFAOYSA-N
XLogP2.51
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.51
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

4-Cyano-3-methyl-5-phenylthiophene-2-carbohydrazide
CID 838334
N'-benzoylthiophene-2-carbohydrazide
CID 790437
N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 922960
N'-(4-fluorobenzoyl)-2,5-dimethylthiophene-3-carbohydrazide
CID 9105676
N'-[(4-methylphenyl)carbonyl]thiophene-2-carbohydrazide
CID 809165
5-Cyano-3,4-diphenylthiophene-2-carboxamide
CID 2740149
5-Phenylthiophene-2-carbohydrazide
CID 12323262
N'-(2-phenylacetyl)-2-thiophenecarbohydrazide
CID 691947
4-methyl-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 2672376
5-(4-Fluorophenyl)thiophene-2-carbohydrazide
CID 4961860
N'-(4-methylbenzoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carbohydrazide
CID 2740150
N'-[2-(3,4-dimethylphenyl)acetyl]thiophene-2-carbohydrazide
CID 8118628

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-methyl-5-(4-methylphenyl)thiophene-2-carbohydrazide?
The IUPAC name of 4-cyano-3-methyl-5-(4-methylphenyl)thiophene-2-carbohydrazide (CID 793865) is 4-cyano-3-methyl-5-(4-methylphenyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 4-cyano-3-methyl-5-(4-methylphenyl)thiophene-2-carbohydrazide?
The canonical SMILES for 4-cyano-3-methyl-5-(4-methylphenyl)thiophene-2-carbohydrazide is Cc1ccc(-c2sc(C(=O)NN)c(C)c2C#N)cc1.
What is the InChIKey of 4-cyano-3-methyl-5-(4-methylphenyl)thiophene-2-carbohydrazide?
The InChIKey is PPMYPMZSKXINOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-8-3-5-10(6-4-8)13-11(7-15)9(2)12(19-13)14(18)17-16/h3-6H,16H2,1-2H3,(H,17,18).
What are the key properties of 4-cyano-3-methyl-5-(4-methylphenyl)thiophene-2-carbohydrazide?
4-cyano-3-methyl-5-(4-methylphenyl)thiophene-2-carbohydrazide has a molecular weight of 271.35 g/mol, XLogP of 2.51, 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-(4-methylphenyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 793865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).