5-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]-2,3-dihydro-1H-inden-1-amine

C15H17FN2S — CID 104584945

IUPAC5-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(CNC1CCc2cc(F)ccc21)c1nccs1
InChIInChI=1S/C15H17FN2S/c1-10(15-17-6-7-19-15)9-18-14-5-2-11-8-12(16)3-4-13(11)14/h3-4,6-8,10,14,18H,2,5,9H2,1H3
InChIKeyCCFTXBMTSUMUSL-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.66
Rot. Bonds4

About 5-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]-2,3-dihydro-1H-inden-1-amine

5-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 104584945) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID104584945
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name5-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(CNC1CCc2cc(F)ccc21)c1nccs1
InChIInChI=1S/C15H17FN2S/c1-10(15-17-6-7-19-15)9-18-14-5-2-11-8-12(16)3-4-13(11)14/h3-4,6-8,10,14,18H,2,5,9H2,1H3
InChIKeyCCFTXBMTSUMUSL-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 113260866
1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 115708917
5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81345201
1-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4,4-dimethylpentan-2-ol
CID 103784366
9-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 104585119
7-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 104584935
N-[2-(1,3-thiazol-2-yl)propyl]-2,3-dihydro-1H-inden-2-amine
CID 104585038
4-fluoro-1-N-[2-(1,3-thiazol-2-yl)propyl]benzene-1,2-diamine
CID 114127004
5-fluoro-N-[2-(2-methylpropoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115713623
(6S)-6-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 104585069
5-fluoro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 113259796
(2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906577

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]-2,3-dihydro-1H-inden-1-amine (CID 104584945) is 5-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]-2,3-dihydro-1H-inden-1-amine is CC(CNC1CCc2cc(F)ccc21)c1nccs1.
What is the InChIKey of 5-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CCFTXBMTSUMUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c1-10(15-17-6-7-19-15)9-18-14-5-2-11-8-12(16)3-4-13(11)14/h3-4,6-8,10,14,18H,2,5,9H2,1H3.
What are the key properties of 5-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]-2,3-dihydro-1H-inden-1-amine?
5-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 276.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 104584945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).