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

C13H12N2O2S2 — CID 8637772

IUPACN'-(4-methylsulfanylbenzoyl)thiophene-2-carbohydrazide
SMILESCSc1ccc(C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C13H12N2O2S2/c1-18-10-6-4-9(5-7-10)12(16)14-15-13(17)11-3-2-8-19-11/h2-8H,1H3,(H,14,16)(H,15,17)
InChIKeyUYTQIBATIMUJDZ-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.54
Rot. Bonds3

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

N'-(4-methylsulfanylbenzoyl)thiophene-2-carbohydrazide (PubChem CID 8637772) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N'-(4-methylsulfanylbenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methylsulfanylbenzoyl)thiophene-2-carbohydrazide
PubChem CID8637772
Molecular FormulaC13H12N2O2S2
Molecular Weight292.39 g/mol
Exact Mass292.03
IUPAC NameN'-(4-methylsulfanylbenzoyl)thiophene-2-carbohydrazide
SMILESCSc1ccc(C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C13H12N2O2S2/c1-18-10-6-4-9(5-7-10)12(16)14-15-13(17)11-3-2-8-19-11/h2-8H,1H3,(H,14,16)(H,15,17)
InChIKeyUYTQIBATIMUJDZ-UHFFFAOYSA-N
XLogP2.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 809220
N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide
CID 959994
N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide
CID 2204112
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6878439
N-[4-[3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 2865585
N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide
CID 920970
1-amino-3-(thiophene-2-carbonylamino)urea
CID 141065921
6-chloro-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide
CID 9479307
N'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide
CID 959986
6-methoxy-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide
CID 27018409
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylsulfanylbenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(4-methylsulfanylbenzoyl)thiophene-2-carbohydrazide (CID 8637772) is N'-(4-methylsulfanylbenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(4-methylsulfanylbenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(4-methylsulfanylbenzoyl)thiophene-2-carbohydrazide is CSc1ccc(C(=O)NNC(=O)c2cccs2)cc1.
What is the InChIKey of N'-(4-methylsulfanylbenzoyl)thiophene-2-carbohydrazide?
The InChIKey is UYTQIBATIMUJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c1-18-10-6-4-9(5-7-10)12(16)14-15-13(17)11-3-2-8-19-11/h2-8H,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-(4-methylsulfanylbenzoyl)thiophene-2-carbohydrazide?
N'-(4-methylsulfanylbenzoyl)thiophene-2-carbohydrazide has a molecular weight of 292.39 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylsulfanylbenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 8637772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).