N'-(4-methylbenzoyl)thiophene-2-carbohydrazide

C13H12N2O2S — CID 809165

IUPACN'-(4-methylbenzoyl)thiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C13H12N2O2S/c1-9-4-6-10(7-5-9)12(16)14-15-13(17)11-3-2-8-18-11/h2-8H,1H3,(H,14,16)(H,15,17)
InChIKeyNGHLNPLQVZRRAJ-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.13
Rot. Bonds2

About N'-(4-methylbenzoyl)thiophene-2-carbohydrazide

N'-(4-methylbenzoyl)thiophene-2-carbohydrazide (PubChem CID 809165) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is N'-(4-methylbenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methylbenzoyl)thiophene-2-carbohydrazide
PubChem CID809165
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC NameN'-(4-methylbenzoyl)thiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C13H12N2O2S/c1-9-4-6-10(7-5-9)12(16)14-15-13(17)11-3-2-8-18-11/h2-8H,1H3,(H,14,16)(H,15,17)
InChIKeyNGHLNPLQVZRRAJ-UHFFFAOYSA-N
XLogP2.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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
4-Cyano-3-methyl-5-phenylthiophene-2-carbohydrazide
CID 838334
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide
CID 6880299
N'-benzoylthiophene-2-carbohydrazide
CID 790437
3-Phenylthiophene-2-carboxamide
CID 22374565
3-Methylthiophene-2-carbohydrazide
CID 2760084
1-Benzothiophene-2-carbohydrazide
CID 519437
4-Bromo-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 766481
4-Cyano-3-methyl-5-(4-methylphenyl)-2-thiophenecarbohydrazide
CID 793865
2-Bromo-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 809174
N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 922960
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 2210626

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylbenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(4-methylbenzoyl)thiophene-2-carbohydrazide (CID 809165) is N'-(4-methylbenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(4-methylbenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(4-methylbenzoyl)thiophene-2-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2cccs2)cc1.
What is the InChIKey of N'-(4-methylbenzoyl)thiophene-2-carbohydrazide?
The InChIKey is NGHLNPLQVZRRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-9-4-6-10(7-5-9)12(16)14-15-13(17)11-3-2-8-18-11/h2-8H,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-(4-methylbenzoyl)thiophene-2-carbohydrazide?
N'-(4-methylbenzoyl)thiophene-2-carbohydrazide has a molecular weight of 260.32 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylbenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 809165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).