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

C14H13FN2O2S — CID 9105676

IUPACN'-(4-fluorobenzoyl)-2,5-dimethylthiophene-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(F)cc2)c(C)s1
InChIInChI=1S/C14H13FN2O2S/c1-8-7-12(9(2)20-8)14(19)17-16-13(18)10-3-5-11(15)6-4-10/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyQUXKDBCAGAERPI-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.58
Rot. Bonds2

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

N'-(4-fluorobenzoyl)-2,5-dimethylthiophene-3-carbohydrazide (PubChem CID 9105676) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is N'-(4-fluorobenzoyl)-2,5-dimethylthiophene-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorobenzoyl)-2,5-dimethylthiophene-3-carbohydrazide
PubChem CID9105676
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC NameN'-(4-fluorobenzoyl)-2,5-dimethylthiophene-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(F)cc2)c(C)s1
InChIInChI=1S/C14H13FN2O2S/c1-8-7-12(9(2)20-8)14(19)17-16-13(18)10-3-5-11(15)6-4-10/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyQUXKDBCAGAERPI-UHFFFAOYSA-N
XLogP2.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorobenzoyl)-2,5-dimethylthiophene-3-carbohydrazide?
The IUPAC name of N'-(4-fluorobenzoyl)-2,5-dimethylthiophene-3-carbohydrazide (CID 9105676) is N'-(4-fluorobenzoyl)-2,5-dimethylthiophene-3-carbohydrazide.
What is the SMILES notation for N'-(4-fluorobenzoyl)-2,5-dimethylthiophene-3-carbohydrazide?
The canonical SMILES for N'-(4-fluorobenzoyl)-2,5-dimethylthiophene-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2ccc(F)cc2)c(C)s1.
What is the InChIKey of N'-(4-fluorobenzoyl)-2,5-dimethylthiophene-3-carbohydrazide?
The InChIKey is QUXKDBCAGAERPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c1-8-7-12(9(2)20-8)14(19)17-16-13(18)10-3-5-11(15)6-4-10/h3-7H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(4-fluorobenzoyl)-2,5-dimethylthiophene-3-carbohydrazide?
N'-(4-fluorobenzoyl)-2,5-dimethylthiophene-3-carbohydrazide has a molecular weight of 292.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorobenzoyl)-2,5-dimethylthiophene-3-carbohydrazide is sourced from PubChem (CID 9105676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).