5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide

C15H15FN2O2S — CID 24554163

IUPAC5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide
SMILESCC(C)C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C15H15FN2O2S/c1-9(2)14(19)17-18-15(20)13-8-7-12(21-13)10-3-5-11(16)6-4-10/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyNPJZBWSXGUZJDD-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.97
Rot. Bonds3

About 5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide

5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide (PubChem CID 24554163) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide
PubChem CID24554163
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide
SMILESCC(C)C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C15H15FN2O2S/c1-9(2)14(19)17-18-15(20)13-8-7-12(21-13)10-3-5-11(16)6-4-10/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyNPJZBWSXGUZJDD-UHFFFAOYSA-N
XLogP2.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.97
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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Related Compounds

5-(4-fluorophenyl)-N'-(3-methylbutanoyl)thiophene-2-carbohydrazide
CID 9140377
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
5-(4-fluorophenyl)-N'-[2-(4-methylphenyl)-2-oxoacetyl]thiophene-2-carbohydrazide
CID 37214158
N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30796420
5-(4-fluorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide
CID 92771361
5-(4-fluorophenyl)-N'-(3-thiophen-3-ylpropanoyl)thiophene-2-carbohydrazide
CID 30505197
5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 46518220
N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbohydrazide
CID 55818537
5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119429577
1-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 9218538
5-(4-fluorophenyl)-N-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide
CID 34438299
5-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 71958546

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide (CID 24554163) is 5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide is CC(C)C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide?
The InChIKey is NPJZBWSXGUZJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-9(2)14(19)17-18-15(20)13-8-7-12(21-13)10-3-5-11(16)6-4-10/h3-9H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide?
5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide has a molecular weight of 306.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 24554163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).