N'-benzoyl-5-methylthiophene-2-carbohydrazide

C13H12N2O2S — CID 4808936

IUPACN'-benzoyl-5-methylthiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccccc2)s1
InChIInChI=1S/C13H12N2O2S/c1-9-7-8-11(18-9)13(17)15-14-12(16)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,16)(H,15,17)
InChIKeyRJMHIMAKUQUOCX-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.13
Rot. Bonds2

About N'-benzoyl-5-methylthiophene-2-carbohydrazide

N'-benzoyl-5-methylthiophene-2-carbohydrazide (PubChem CID 4808936) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is N'-benzoyl-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-5-methylthiophene-2-carbohydrazide
PubChem CID4808936
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC NameN'-benzoyl-5-methylthiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccccc2)s1
InChIInChI=1S/C13H12N2O2S/c1-9-7-8-11(18-9)13(17)15-14-12(16)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,16)(H,15,17)
InChIKeyRJMHIMAKUQUOCX-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

N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide
CID 27604628
N,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 17463497
ethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate
CID 30948448
N'-(5-methylthiophene-2-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 31845773
N'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide
CID 7809022
N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-carboxamide
CID 63184449
5-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 26523718
N'-[2-(4-chlorophenyl)acetyl]-5-methylthiophene-2-carbohydrazide
CID 36855608
1-[[2-(2-methoxyphenyl)acetyl]amino]-3-[(5-methylthiophene-2-carbonyl)amino]urea
CID 47960208
N'-(2-amino-2-methylpropanoyl)benzohydrazide
CID 67519847
5-methyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 27839113
3-ethyl-N'-(5-methylthiophene-2-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 27563716

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-5-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-benzoyl-5-methylthiophene-2-carbohydrazide (CID 4808936) is N'-benzoyl-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-benzoyl-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-benzoyl-5-methylthiophene-2-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2ccccc2)s1.
What is the InChIKey of N'-benzoyl-5-methylthiophene-2-carbohydrazide?
The InChIKey is RJMHIMAKUQUOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-9-7-8-11(18-9)13(17)15-14-12(16)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-benzoyl-5-methylthiophene-2-carbohydrazide?
N'-benzoyl-5-methylthiophene-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'-benzoyl-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 4808936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).