[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine

C12H13FN4S — CID 103502404

IUPAC[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(CN2CCc3ccc(F)cc32)s1
InChIInChI=1S/C12H13FN4S/c13-9-2-1-8-3-4-17(11(8)5-9)7-10-6-15-12(16-14)18-10/h1-2,5-6H,3-4,7,14H2,(H,15,16)
InChIKeyLHMBDEYCYRZTDB-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.13
Rot. Bonds3

About [5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine

[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 103502404) has the molecular formula C12H13FN4S and a molecular weight of 264.33 g/mol. Its IUPAC name is [5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID103502404
Molecular FormulaC12H13FN4S
Molecular Weight264.33 g/mol
Exact Mass264.08
IUPAC Name[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(CN2CCc3ccc(F)cc32)s1
InChIInChI=1S/C12H13FN4S/c13-9-2-1-8-3-4-17(11(8)5-9)7-10-6-15-12(16-14)18-10/h1-2,5-6H,3-4,7,14H2,(H,15,16)
InChIKeyLHMBDEYCYRZTDB-UHFFFAOYSA-N
XLogP2.13
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 71657337
2-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbothioamide
CID 2100715
5-[(2-Fluorophenyl)-pyrrolidin-1-ylmethyl]-1,3-thiazol-2-amine
CID 88927634
5-fluoro-N-[1-(5-fluorospiro[2H-indole-3,3'-pyrrolidine]-1-yl)propa-1,2-dienyl]-1,3-thiazol-2-amine
CID 90463929
N-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindazol-3-yl]-1,3-thiazol-2-amine
CID 143497222
N,N-diethyl-5-[(5-fluoro-2-methylanilino)methyl]-1,3-thiazol-2-amine
CID 43764082
N,N-diethyl-5-[(4-fluoro-2-methylanilino)methyl]-1,3-thiazol-2-amine
CID 43764866
5-Fluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide
CID 55233893
N,N-diethyl-5-[(3-fluoro-2-methylanilino)methyl]-1,3-thiazol-2-amine
CID 61636602
5-(4-fluorophenyl)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1,3-thiazol-2-amine
CID 71816349
2-Fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide
CID 79513510
[5-[[4-(2-Fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine
CID 79760682

Frequently Asked Questions

What is the IUPAC name of [5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine (CID 103502404) is [5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine is NNc1ncc(CN2CCc3ccc(F)cc32)s1.
What is the InChIKey of [5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is LHMBDEYCYRZTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4S/c13-9-2-1-8-3-4-17(11(8)5-9)7-10-6-15-12(16-14)18-10/h1-2,5-6H,3-4,7,14H2,(H,15,16).
What are the key properties of [5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine?
[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 264.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 103502404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).