2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide

C11H9ClFN3OS — CID 129227546

IUPAC2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide
SMILESNNC(=O)c1c(-c2ccc(F)c(Cl)c2)csc1N
InChIInChI=1S/C11H9ClFN3OS/c12-7-3-5(1-2-8(7)13)6-4-18-10(14)9(6)11(17)16-15/h1-4H,14-15H2,(H,16,17)
InChIKeyNWMFZKLCJPVESJ-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.39
Rot. Bonds2

About 2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide

2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide (PubChem CID 129227546) has the molecular formula C11H9ClFN3OS and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide.

Molecular Properties

Compound Name2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide
PubChem CID129227546
Molecular FormulaC11H9ClFN3OS
Molecular Weight285.73 g/mol
Exact Mass285.01
IUPAC Name2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide
SMILESNNC(=O)c1c(-c2ccc(F)c(Cl)c2)csc1N
InChIInChI=1S/C11H9ClFN3OS/c12-7-3-5(1-2-8(7)13)6-4-18-10(14)9(6)11(17)16-15/h1-4H,14-15H2,(H,16,17)
InChIKeyNWMFZKLCJPVESJ-UHFFFAOYSA-N
XLogP2.39
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-5-(4-chlorophenyl)thiophene-2-carbohydrazide
CID 2120328
2-Amino-5-phenylthiophene-3-carbohydrazide
CID 736657
5-Amino-3-(4-chlorophenyl)thiophene-2,4-dicarboxamide
CID 54771193
(2-Amino-4-ethyl-5-methylthiophen-3-yl)(3-chlorophenyl)methanone
CID 10779081
Methanone, (2-amino-4,5-dimethyl-3-thienyl)(3-chlorophenyl)-
CID 10849331
[2-Amino-4-(3-chlorophenyl)thiophen-3-yl]-phenylmethanone
CID 25263610
(2-Aminothiophen-3-yl)(3-chlorophenyl)methanone
CID 44350587
2-Amino-4-(4-chlorophenyl)thiophene-3-carboxamide
CID 741568
2-Amino-4-(4-fluorophenyl)thiophene-3-carboxamide
CID 16792583
1-[2-Amino-4-(4-chloro-3-fluorophenyl)thiophen-3-yl]ethanone
CID 58295450
2-Amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide
CID 129219575
5-[4-chloro-3-(trifluoromethyl)phenyl]-3H-thieno[2,3-d]triazin-4-one
CID 129219615

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide?
The IUPAC name of 2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide (CID 129227546) is 2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide.
What is the SMILES notation for 2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide?
The canonical SMILES for 2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide is NNC(=O)c1c(-c2ccc(F)c(Cl)c2)csc1N.
What is the InChIKey of 2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide?
The InChIKey is NWMFZKLCJPVESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3OS/c12-7-3-5(1-2-8(7)13)6-4-18-10(14)9(6)11(17)16-15/h1-4H,14-15H2,(H,16,17).
What are the key properties of 2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide?
2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide has a molecular weight of 285.73 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide is sourced from PubChem (CID 129227546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).