4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide

C13H13FN4OS — CID 103503789

IUPAC4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CN2CCc3ccc(F)cc32)cs1
InChIInChI=1S/C13H13FN4OS/c14-9-2-1-8-3-4-18(11(8)5-9)6-10-7-20-13(16-10)12(19)17-15/h1-2,5,7H,3-4,6,15H2,(H,17,19)
InChIKeyOLIQVSVQKWXIKI-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.45
Rot. Bonds3

About 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide

4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 103503789) has the molecular formula C13H13FN4OS and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID103503789
Molecular FormulaC13H13FN4OS
Molecular Weight292.34 g/mol
Exact Mass292.08
IUPAC Name4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CN2CCc3ccc(F)cc32)cs1
InChIInChI=1S/C13H13FN4OS/c14-9-2-1-8-3-4-18(11(8)5-9)6-10-7-20-13(16-10)12(19)17-15/h1-2,5,7H,3-4,6,15H2,(H,17,19)
InChIKeyOLIQVSVQKWXIKI-UHFFFAOYSA-N
XLogP1.45
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide (CID 103503789) is 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(CN2CCc3ccc(F)cc32)cs1.
What is the InChIKey of 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is OLIQVSVQKWXIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4OS/c14-9-2-1-8-3-4-18(11(8)5-9)6-10-7-20-13(16-10)12(19)17-15/h1-2,5,7H,3-4,6,15H2,(H,17,19).
What are the key properties of 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 292.34 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 103503789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).