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

C13H10BrF3N2S — CID 79633064

IUPAC6-[3-bromo-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESNc1nc2c(s1)C(c1cc(Br)cc(C(F)(F)F)c1)CC2
InChIInChI=1S/C13H10BrF3N2S/c14-8-4-6(3-7(5-8)13(15,16)17)9-1-2-10-11(9)20-12(18)19-10/h3-5,9H,1-2H2,(H2,18,19)
InChIKeySYLFDJDADOIFLQ-UHFFFAOYSA-N
MW363.20 g/mol
LogP4.58
Rot. Bonds1

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

6-[3-bromo-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (PubChem CID 79633064) has the molecular formula C13H10BrF3N2S and a molecular weight of 363.20 g/mol. Its IUPAC name is 6-[3-bromo-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.

Molecular Properties

Compound Name6-[3-bromo-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
PubChem CID79633064
Molecular FormulaC13H10BrF3N2S
Molecular Weight363.20 g/mol
Exact Mass361.97
IUPAC Name6-[3-bromo-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESNc1nc2c(s1)C(c1cc(Br)cc(C(F)(F)F)c1)CC2
InChIInChI=1S/C13H10BrF3N2S/c14-8-4-6(3-7(5-8)13(15,16)17)9-1-2-10-11(9)20-12(18)19-10/h3-5,9H,1-2H2,(H2,18,19)
InChIKeySYLFDJDADOIFLQ-UHFFFAOYSA-N
XLogP4.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[3-bromo-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The IUPAC name of 6-[3-bromo-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (CID 79633064) is 6-[3-bromo-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.
What is the SMILES notation for 6-[3-bromo-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The canonical SMILES for 6-[3-bromo-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is Nc1nc2c(s1)C(c1cc(Br)cc(C(F)(F)F)c1)CC2.
What is the InChIKey of 6-[3-bromo-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The InChIKey is SYLFDJDADOIFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2S/c14-8-4-6(3-7(5-8)13(15,16)17)9-1-2-10-11(9)20-12(18)19-10/h3-5,9H,1-2H2,(H2,18,19).
What are the key properties of 6-[3-bromo-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
6-[3-bromo-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine has a molecular weight of 363.20 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-bromo-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is sourced from PubChem (CID 79633064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).