3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophene-2-carbohydrazide

C14H14FN3OS — CID 103503781

IUPAC3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1CN1CCc2ccc(F)cc21
InChIInChI=1S/C14H14FN3OS/c15-11-2-1-9-3-5-18(12(9)7-11)8-10-4-6-20-13(10)14(19)17-16/h1-2,4,6-7H,3,5,8,16H2,(H,17,19)
InChIKeyHMRDJCAFIZXMRZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.05
Rot. Bonds3

About 3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophene-2-carbohydrazide

3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 103503781) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophene-2-carbohydrazide
PubChem CID103503781
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC Name3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1CN1CCc2ccc(F)cc21
InChIInChI=1S/C14H14FN3OS/c15-11-2-1-9-3-5-18(12(9)7-11)8-10-4-6-20-13(10)14(19)17-16/h1-2,4,6-7H,3,5,8,16H2,(H,17,19)
InChIKeyHMRDJCAFIZXMRZ-UHFFFAOYSA-N
XLogP2.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.05
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

4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 103503789
5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid
CID 103503739
4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide
CID 103503791
4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol
CID 103494091
3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 106674279
3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63641063
3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 55246482
methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 103497970
3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63639861
4-[2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
CID 103501668
5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 103498030
3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide
CID 130269379

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophene-2-carbohydrazide (CID 103503781) is 3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophene-2-carbohydrazide is NNC(=O)c1sccc1CN1CCc2ccc(F)cc21.
What is the InChIKey of 3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is HMRDJCAFIZXMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c15-11-2-1-9-3-5-18(12(9)7-11)8-10-4-6-20-13(10)14(19)17-16/h1-2,4,6-7H,3,5,8,16H2,(H,17,19).
What are the key properties of 3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophene-2-carbohydrazide?
3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 291.35 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 103503781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).