3-[(2-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide

C13H14FN3OS — CID 55246094

IUPAC3-[(2-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide
SMILESCN(Cc1ccsc1C(=O)NN)c1ccccc1F
InChIInChI=1S/C13H14FN3OS/c1-17(11-5-3-2-4-10(11)14)8-9-6-7-19-12(9)13(18)16-15/h2-7H,8,15H2,1H3,(H,16,18)
InChIKeyKNIVUKLIDCZCNB-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.13
Rot. Bonds4

About 3-[(2-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide

3-[(2-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide (PubChem CID 55246094) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[(2-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[(2-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide
PubChem CID55246094
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name3-[(2-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide
SMILESCN(Cc1ccsc1C(=O)NN)c1ccccc1F
InChIInChI=1S/C13H14FN3OS/c1-17(11-5-3-2-4-10(11)14)8-9-6-7-19-12(9)13(18)16-15/h2-7H,8,15H2,1H3,(H,16,18)
InChIKeyKNIVUKLIDCZCNB-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
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

2-[(2-fluoro-N-methylanilino)methyl]benzohydrazide
CID 63585311
3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640901
3-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 63640202
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640383
3-[[methyl(2-methylsulfonylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 79858524
3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63639193
3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]thiophene-2-carbohydrazide
CID 113476710
3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640379
3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiophene-2-carbohydrazide
CID 63840723
3-(methylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63640253
3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63639704
N-[2-(hydrazinecarbonyl)thiophen-3-yl]-N-methylbenzenesulfonamide
CID 52940435

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[(2-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide (CID 55246094) is 3-[(2-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[(2-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[(2-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide is CN(Cc1ccsc1C(=O)NN)c1ccccc1F.
What is the InChIKey of 3-[(2-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide?
The InChIKey is KNIVUKLIDCZCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-17(11-5-3-2-4-10(11)14)8-9-6-7-19-12(9)13(18)16-15/h2-7H,8,15H2,1H3,(H,16,18).
What are the key properties of 3-[(2-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide?
3-[(2-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide has a molecular weight of 279.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 55246094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).