6-fluoro-N-propan-2-yl-4H-indeno[1,2-d][1,3]thiazol-2-amine

C13H13FN2S — CID 116531152

IUPAC6-fluoro-N-propan-2-yl-4H-indeno[1,2-d][1,3]thiazol-2-amine
SMILESCC(C)Nc1nc2c(s1)Cc1cc(F)ccc1-2
InChIInChI=1S/C13H13FN2S/c1-7(2)15-13-16-12-10-4-3-9(14)5-8(10)6-11(12)17-13/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyRMAYKLFLKJGRHF-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.67
Rot. Bonds2

About 6-fluoro-N-propan-2-yl-4H-indeno[1,2-d][1,3]thiazol-2-amine

6-fluoro-N-propan-2-yl-4H-indeno[1,2-d][1,3]thiazol-2-amine (PubChem CID 116531152) has the molecular formula C13H13FN2S and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-fluoro-N-propan-2-yl-4H-indeno[1,2-d][1,3]thiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-propan-2-yl-4H-indeno[1,2-d][1,3]thiazol-2-amine
PubChem CID116531152
Molecular FormulaC13H13FN2S
Molecular Weight248.33 g/mol
Exact Mass248.08
IUPAC Name6-fluoro-N-propan-2-yl-4H-indeno[1,2-d][1,3]thiazol-2-amine
SMILESCC(C)Nc1nc2c(s1)Cc1cc(F)ccc1-2
InChIInChI=1S/C13H13FN2S/c1-7(2)15-13-16-12-10-4-3-9(14)5-8(10)6-11(12)17-13/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyRMAYKLFLKJGRHF-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-propan-2-yl-4H-indeno[1,2-d][1,3]thiazol-2-amine?
The IUPAC name of 6-fluoro-N-propan-2-yl-4H-indeno[1,2-d][1,3]thiazol-2-amine (CID 116531152) is 6-fluoro-N-propan-2-yl-4H-indeno[1,2-d][1,3]thiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-propan-2-yl-4H-indeno[1,2-d][1,3]thiazol-2-amine?
The canonical SMILES for 6-fluoro-N-propan-2-yl-4H-indeno[1,2-d][1,3]thiazol-2-amine is CC(C)Nc1nc2c(s1)Cc1cc(F)ccc1-2.
What is the InChIKey of 6-fluoro-N-propan-2-yl-4H-indeno[1,2-d][1,3]thiazol-2-amine?
The InChIKey is RMAYKLFLKJGRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2S/c1-7(2)15-13-16-12-10-4-3-9(14)5-8(10)6-11(12)17-13/h3-5,7H,6H2,1-2H3,(H,15,16).
What are the key properties of 6-fluoro-N-propan-2-yl-4H-indeno[1,2-d][1,3]thiazol-2-amine?
6-fluoro-N-propan-2-yl-4H-indeno[1,2-d][1,3]thiazol-2-amine has a molecular weight of 248.33 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-propan-2-yl-4H-indeno[1,2-d][1,3]thiazol-2-amine is sourced from PubChem (CID 116531152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).