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

C12H10BrFN2S — CID 79632651

IUPAC6-(4-bromo-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESNc1nc2c(s1)C(c1ccc(Br)c(F)c1)CC2
InChIInChI=1S/C12H10BrFN2S/c13-8-3-1-6(5-9(8)14)7-2-4-10-11(7)17-12(15)16-10/h1,3,5,7H,2,4H2,(H2,15,16)
InChIKeyWXEIYGGWERNUTD-UHFFFAOYSA-N
MW313.20 g/mol
LogP3.70
Rot. Bonds1

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

6-(4-bromo-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (PubChem CID 79632651) has the molecular formula C12H10BrFN2S and a molecular weight of 313.20 g/mol. Its IUPAC name is 6-(4-bromo-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.

Molecular Properties

Compound Name6-(4-bromo-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
PubChem CID79632651
Molecular FormulaC12H10BrFN2S
Molecular Weight313.20 g/mol
Exact Mass311.97
IUPAC Name6-(4-bromo-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESNc1nc2c(s1)C(c1ccc(Br)c(F)c1)CC2
InChIInChI=1S/C12H10BrFN2S/c13-8-3-1-6(5-9(8)14)7-2-4-10-11(7)17-12(15)16-10/h1,3,5,7H,2,4H2,(H2,15,16)
InChIKeyWXEIYGGWERNUTD-UHFFFAOYSA-N
XLogP3.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The IUPAC name of 6-(4-bromo-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (CID 79632651) is 6-(4-bromo-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.
What is the SMILES notation for 6-(4-bromo-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The canonical SMILES for 6-(4-bromo-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is Nc1nc2c(s1)C(c1ccc(Br)c(F)c1)CC2.
What is the InChIKey of 6-(4-bromo-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The InChIKey is WXEIYGGWERNUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2S/c13-8-3-1-6(5-9(8)14)7-2-4-10-11(7)17-12(15)16-10/h1,3,5,7H,2,4H2,(H2,15,16).
What are the key properties of 6-(4-bromo-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
6-(4-bromo-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine has a molecular weight of 313.20 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is sourced from PubChem (CID 79632651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).