6-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine

C13H13FN2S — CID 79632646

IUPAC6-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESCc1ccc(F)c(C2CCc3nc(N)sc32)c1
InChIInChI=1S/C13H13FN2S/c1-7-2-4-10(14)9(6-7)8-3-5-11-12(8)17-13(15)16-11/h2,4,6,8H,3,5H2,1H3,(H2,15,16)
InChIKeyBHQLUOYBCLTVPQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.25
Rot. Bonds1

About 6-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine

6-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (PubChem CID 79632646) has the molecular formula C13H13FN2S and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.

Molecular Properties

Compound Name6-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
PubChem CID79632646
Molecular FormulaC13H13FN2S
Molecular Weight248.33 g/mol
Exact Mass248.08
IUPAC Name6-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESCc1ccc(F)c(C2CCc3nc(N)sc32)c1
InChIInChI=1S/C13H13FN2S/c1-7-2-4-10(14)9(6-7)8-3-5-11-12(8)17-13(15)16-11/h2,4,6,8H,3,5H2,1H3,(H2,15,16)
InChIKeyBHQLUOYBCLTVPQ-UHFFFAOYSA-N
XLogP3.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The IUPAC name of 6-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (CID 79632646) is 6-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.
What is the SMILES notation for 6-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The canonical SMILES for 6-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is Cc1ccc(F)c(C2CCc3nc(N)sc32)c1.
What is the InChIKey of 6-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The InChIKey is BHQLUOYBCLTVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2S/c1-7-2-4-10(14)9(6-7)8-3-5-11-12(8)17-13(15)16-11/h2,4,6,8H,3,5H2,1H3,(H2,15,16).
What are the key properties of 6-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
6-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine has a molecular weight of 248.33 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is sourced from PubChem (CID 79632646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).