5-(4-fluorophenyl)-N'-(3-thiophen-3-ylpropanoyl)thiophene-2-carbohydrazide

C18H15FN2O2S2 — CID 30505197

IUPAC5-(4-fluorophenyl)-N'-(3-thiophen-3-ylpropanoyl)thiophene-2-carbohydrazide
SMILESO=C(CCc1ccsc1)NNC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H15FN2O2S2/c19-14-4-2-13(3-5-14)15-6-7-16(25-15)18(23)21-20-17(22)8-1-12-9-10-24-11-12/h2-7,9-11H,1,8H2,(H,20,22)(H,21,23)
InChIKeyAPJWAIRFBNHFEM-UHFFFAOYSA-N
MW374.46 g/mol
LogP4.01
Rot. Bonds5

About 5-(4-fluorophenyl)-N'-(3-thiophen-3-ylpropanoyl)thiophene-2-carbohydrazide

5-(4-fluorophenyl)-N'-(3-thiophen-3-ylpropanoyl)thiophene-2-carbohydrazide (PubChem CID 30505197) has the molecular formula C18H15FN2O2S2 and a molecular weight of 374.46 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N'-(3-thiophen-3-ylpropanoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N'-(3-thiophen-3-ylpropanoyl)thiophene-2-carbohydrazide
PubChem CID30505197
Molecular FormulaC18H15FN2O2S2
Molecular Weight374.46 g/mol
Exact Mass374.06
IUPAC Name5-(4-fluorophenyl)-N'-(3-thiophen-3-ylpropanoyl)thiophene-2-carbohydrazide
SMILESO=C(CCc1ccsc1)NNC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H15FN2O2S2/c19-14-4-2-13(3-5-14)15-6-7-16(25-15)18(23)21-20-17(22)8-1-12-9-10-24-11-12/h2-7,9-11H,1,8H2,(H,20,22)(H,21,23)
InChIKeyAPJWAIRFBNHFEM-UHFFFAOYSA-N
XLogP4.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.01
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

5-(4-fluorophenyl)-N'-(3-methylbutanoyl)thiophene-2-carbohydrazide
CID 9140377
5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide
CID 24554163
N'-[5-(dithiolan-3-yl)pentanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide
CID 24644354
5-(4-fluorophenyl)-N'-[3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]thiophene-2-carbohydrazide
CID 24554183
2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide
CID 43017930
5-(4-fluorophenyl)-N'-[2-(4-methylphenyl)-2-oxoacetyl]thiophene-2-carbohydrazide
CID 37214158
N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide
CID 55408907
5-(4-fluorophenyl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]thiophene-2-carbohydrazide
CID 26046075
2-bromo-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide
CID 29264655
5-bromo-N'-[3-(4-methylphenyl)propanoyl]thiophene-2-carbohydrazide
CID 31950441
(2R)-2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]pentanedioic acid
CID 40815364
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 31712845

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N'-(3-thiophen-3-ylpropanoyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-(4-fluorophenyl)-N'-(3-thiophen-3-ylpropanoyl)thiophene-2-carbohydrazide (CID 30505197) is 5-(4-fluorophenyl)-N'-(3-thiophen-3-ylpropanoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-(4-fluorophenyl)-N'-(3-thiophen-3-ylpropanoyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-(4-fluorophenyl)-N'-(3-thiophen-3-ylpropanoyl)thiophene-2-carbohydrazide is O=C(CCc1ccsc1)NNC(=O)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenyl)-N'-(3-thiophen-3-ylpropanoyl)thiophene-2-carbohydrazide?
The InChIKey is APJWAIRFBNHFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S2/c19-14-4-2-13(3-5-14)15-6-7-16(25-15)18(23)21-20-17(22)8-1-12-9-10-24-11-12/h2-7,9-11H,1,8H2,(H,20,22)(H,21,23).
What are the key properties of 5-(4-fluorophenyl)-N'-(3-thiophen-3-ylpropanoyl)thiophene-2-carbohydrazide?
5-(4-fluorophenyl)-N'-(3-thiophen-3-ylpropanoyl)thiophene-2-carbohydrazide has a molecular weight of 374.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N'-(3-thiophen-3-ylpropanoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 30505197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).