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

C12H12FN3S — CID 120902623

IUPAC5-[(5-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCc3cc(F)ccc32)s1
InChIInChI=1S/C12H12FN3S/c13-9-1-2-11-8(5-9)3-4-16(11)7-10-6-15-12(14)17-10/h1-2,5-6H,3-4,7H2,(H2,14,15)
InChIKeyCBYKKEPEXXGNAS-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.43
Rot. Bonds2

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

5-[(5-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 120902623) has the molecular formula C12H12FN3S and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID120902623
Molecular FormulaC12H12FN3S
Molecular Weight249.31 g/mol
Exact Mass249.07
IUPAC Name5-[(5-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCc3cc(F)ccc32)s1
InChIInChI=1S/C12H12FN3S/c13-9-1-2-11-8(5-9)3-4-16(11)7-10-6-15-12(14)17-10/h1-2,5-6H,3-4,7H2,(H2,14,15)
InChIKeyCBYKKEPEXXGNAS-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

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(5-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine (CID 120902623) is 5-[(5-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(5-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCc3cc(F)ccc32)s1.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is CBYKKEPEXXGNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3S/c13-9-1-2-11-8(5-9)3-4-16(11)7-10-6-15-12(14)17-10/h1-2,5-6H,3-4,7H2,(H2,14,15).
What are the key properties of 5-[(5-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine?
5-[(5-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-[(5-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120902623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).