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

C12H12FN3S — CID 120903422

IUPAC5-[(4-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCc3c(F)cccc32)s1
InChIInChI=1S/C12H12FN3S/c13-10-2-1-3-11-9(10)4-5-16(11)7-8-6-15-12(14)17-8/h1-3,6H,4-5,7H2,(H2,14,15)
InChIKeyANLKCGBCAIXFOZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.43
Rot. Bonds2

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

5-[(4-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 120903422) has the molecular formula C12H12FN3S and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[(4-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID120903422
Molecular FormulaC12H12FN3S
Molecular Weight249.31 g/mol
Exact Mass249.07
IUPAC Name5-[(4-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCc3c(F)cccc32)s1
InChIInChI=1S/C12H12FN3S/c13-10-2-1-3-11-9(10)4-5-16(11)7-8-6-15-12(14)17-8/h1-3,6H,4-5,7H2,(H2,14,15)
InChIKeyANLKCGBCAIXFOZ-UHFFFAOYSA-N
XLogP2.43
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine (CID 120903422) is 5-[(4-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCc3c(F)cccc32)s1.
What is the InChIKey of 5-[(4-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is ANLKCGBCAIXFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3S/c13-10-2-1-3-11-9(10)4-5-16(11)7-8-6-15-12(14)17-8/h1-3,6H,4-5,7H2,(H2,14,15).
What are the key properties of 5-[(4-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine?
5-[(4-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 249.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120903422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).