N'-(3-hydroxy-4-methylbenzoyl)thiophene-2-carbohydrazide

C13H12N2O3S — CID 143283795

IUPACN'-(3-hydroxy-4-methylbenzoyl)thiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cccs2)cc1O
InChIInChI=1S/C13H12N2O3S/c1-8-4-5-9(7-10(8)16)12(17)14-15-13(18)11-3-2-6-19-11/h2-7,16H,1H3,(H,14,17)(H,15,18)
InChIKeyLVUOSIKTGUUJMA-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.84
Rot. Bonds2

About N'-(3-hydroxy-4-methylbenzoyl)thiophene-2-carbohydrazide

N'-(3-hydroxy-4-methylbenzoyl)thiophene-2-carbohydrazide (PubChem CID 143283795) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N'-(3-hydroxy-4-methylbenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-hydroxy-4-methylbenzoyl)thiophene-2-carbohydrazide
PubChem CID143283795
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN'-(3-hydroxy-4-methylbenzoyl)thiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cccs2)cc1O
InChIInChI=1S/C13H12N2O3S/c1-8-4-5-9(7-10(8)16)12(17)14-15-13(18)11-3-2-6-19-11/h2-7,16H,1H3,(H,14,17)(H,15,18)
InChIKeyLVUOSIKTGUUJMA-UHFFFAOYSA-N
XLogP1.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-hydroxy-4-methylbenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(3-hydroxy-4-methylbenzoyl)thiophene-2-carbohydrazide (CID 143283795) is N'-(3-hydroxy-4-methylbenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(3-hydroxy-4-methylbenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(3-hydroxy-4-methylbenzoyl)thiophene-2-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2cccs2)cc1O.
What is the InChIKey of N'-(3-hydroxy-4-methylbenzoyl)thiophene-2-carbohydrazide?
The InChIKey is LVUOSIKTGUUJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8-4-5-9(7-10(8)16)12(17)14-15-13(18)11-3-2-6-19-11/h2-7,16H,1H3,(H,14,17)(H,15,18).
What are the key properties of N'-(3-hydroxy-4-methylbenzoyl)thiophene-2-carbohydrazide?
N'-(3-hydroxy-4-methylbenzoyl)thiophene-2-carbohydrazide has a molecular weight of 276.32 g/mol, XLogP of 1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-hydroxy-4-methylbenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 143283795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).