4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide

C14H16FN3OS — CID 80734494

IUPAC4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CN(C)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3OS/c1-9-10(7-13(20-9)14(19)17-16)8-18(2)12-5-3-11(15)4-6-12/h3-7H,8,16H2,1-2H3,(H,17,19)
InChIKeyCCTOADGCPFFLLU-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.44
Rot. Bonds4

About 4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide

4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 80734494) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide
PubChem CID80734494
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CN(C)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3OS/c1-9-10(7-13(20-9)14(19)17-16)8-18(2)12-5-3-11(15)4-6-12/h3-7H,8,16H2,1-2H3,(H,17,19)
InChIKeyCCTOADGCPFFLLU-UHFFFAOYSA-N
XLogP2.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.44
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

5-methyl-4-[(N-methylanilino)methyl]thiophene-2-carboxylic acid
CID 80731006
4-fluoro-N-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline
CID 80727150
5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 80733871
4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylthiophene-2-carbohydrazide
CID 102987730
5-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophene-2-carbohydrazide
CID 80733545
4-[[ethyl(propyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
CID 80733715
4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide
CID 80721705
5-[(3-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 63583474
4-[(2-fluorophenoxy)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733698
2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-methylamino]-N-propylacetamide
CID 80734175
5-[(4-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
CID 63584169
N-ethyl-2-[ethyl-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl]amino]acetamide
CID 80733732

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of 4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide (CID 80734494) is 4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for 4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for 4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide is Cc1sc(C(=O)NN)cc1CN(C)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is CCTOADGCPFFLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-9-10(7-13(20-9)14(19)17-16)8-18(2)12-5-3-11(15)4-6-12/h3-7H,8,16H2,1-2H3,(H,17,19).
What are the key properties of 4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide?
4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 293.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 80734494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).