4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiadiazol-5-amine

C11H11FN4S — CID 103502277

IUPAC4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiadiazol-5-amine
SMILESNc1snnc1CN1CCc2ccc(F)cc21
InChIInChI=1S/C11H11FN4S/c12-8-2-1-7-3-4-16(10(7)5-8)6-9-11(13)17-15-14-9/h1-2,5H,3-4,6,13H2
InChIKeyROIRVHFKAIDLLZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.82
Rot. Bonds2

About 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiadiazol-5-amine

4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiadiazol-5-amine (PubChem CID 103502277) has the molecular formula C11H11FN4S and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiadiazol-5-amine
PubChem CID103502277
Molecular FormulaC11H11FN4S
Molecular Weight250.30 g/mol
Exact Mass250.07
IUPAC Name4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiadiazol-5-amine
SMILESNc1snnc1CN1CCc2ccc(F)cc21
InChIInChI=1S/C11H11FN4S/c12-8-2-1-7-3-4-16(10(7)5-8)6-9-11(13)17-15-14-9/h1-2,5H,3-4,6,13H2
InChIKeyROIRVHFKAIDLLZ-UHFFFAOYSA-N
XLogP1.82
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol
CID 103494091
1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 103501587
(E)-4-(6-fluoro-2,3-dihydroindol-1-yl)but-2-en-1-amine
CID 103495908
[6-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-pyridinyl]methanamine
CID 103503145
N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103502305
6-fluoro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole
CID 59556823
4-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline
CID 103495865
2-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 103815804
2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexan-1-amine
CID 103497070
5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 103502310
2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-benzoxazol-4-amine
CID 103494165
2-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline
CID 107274633

Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiadiazol-5-amine?
The IUPAC name of 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiadiazol-5-amine (CID 103502277) is 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiadiazol-5-amine is Nc1snnc1CN1CCc2ccc(F)cc21.
What is the InChIKey of 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiadiazol-5-amine?
The InChIKey is ROIRVHFKAIDLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4S/c12-8-2-1-7-3-4-16(10(7)5-8)6-9-11(13)17-15-14-9/h1-2,5H,3-4,6,13H2.
What are the key properties of 4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiadiazol-5-amine?
4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiadiazol-5-amine has a molecular weight of 250.30 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 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]thiadiazol-5-amine is sourced from PubChem (CID 103502277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).