N'-(4,5-dimethylthiophene-2-carbonyl)-2-methylfuran-3-carbohydrazide

C13H14N2O3S — CID 32725084

IUPACN'-(4,5-dimethylthiophene-2-carbonyl)-2-methylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccoc2C)sc1C
InChIInChI=1S/C13H14N2O3S/c1-7-6-11(19-9(7)3)13(17)15-14-12(16)10-4-5-18-8(10)2/h4-6H,1-3H3,(H,14,16)(H,15,17)
InChIKeyDYVMUDDNYFBQMT-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.34
Rot. Bonds2

About N'-(4,5-dimethylthiophene-2-carbonyl)-2-methylfuran-3-carbohydrazide

N'-(4,5-dimethylthiophene-2-carbonyl)-2-methylfuran-3-carbohydrazide (PubChem CID 32725084) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N'-(4,5-dimethylthiophene-2-carbonyl)-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4,5-dimethylthiophene-2-carbonyl)-2-methylfuran-3-carbohydrazide
PubChem CID32725084
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN'-(4,5-dimethylthiophene-2-carbonyl)-2-methylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccoc2C)sc1C
InChIInChI=1S/C13H14N2O3S/c1-7-6-11(19-9(7)3)13(17)15-14-12(16)10-4-5-18-8(10)2/h4-6H,1-3H3,(H,14,16)(H,15,17)
InChIKeyDYVMUDDNYFBQMT-UHFFFAOYSA-N
XLogP2.34
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.34
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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Frequently Asked Questions

What is the IUPAC name of N'-(4,5-dimethylthiophene-2-carbonyl)-2-methylfuran-3-carbohydrazide?
The IUPAC name of N'-(4,5-dimethylthiophene-2-carbonyl)-2-methylfuran-3-carbohydrazide (CID 32725084) is N'-(4,5-dimethylthiophene-2-carbonyl)-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(4,5-dimethylthiophene-2-carbonyl)-2-methylfuran-3-carbohydrazide?
The canonical SMILES for N'-(4,5-dimethylthiophene-2-carbonyl)-2-methylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2ccoc2C)sc1C.
What is the InChIKey of N'-(4,5-dimethylthiophene-2-carbonyl)-2-methylfuran-3-carbohydrazide?
The InChIKey is DYVMUDDNYFBQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-7-6-11(19-9(7)3)13(17)15-14-12(16)10-4-5-18-8(10)2/h4-6H,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N'-(4,5-dimethylthiophene-2-carbonyl)-2-methylfuran-3-carbohydrazide?
N'-(4,5-dimethylthiophene-2-carbonyl)-2-methylfuran-3-carbohydrazide has a molecular weight of 278.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dimethylthiophene-2-carbonyl)-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 32725084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).