1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine

C15H15F3N2S — CID 61330377

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1cccc(C(F)(F)F)c1)c1nc2c(s1)CCC2
InChIInChI=1S/C15H15F3N2S/c1-19-13(14-20-11-6-3-7-12(11)21-14)9-4-2-5-10(8-9)15(16,17)18/h2,4-5,8,13,19H,3,6-7H2,1H3
InChIKeyZOPMVKYHOXYCOU-UHFFFAOYSA-N
MW312.36 g/mol
LogP3.96
Rot. Bonds3

About 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 61330377) has the molecular formula C15H15F3N2S and a molecular weight of 312.36 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID61330377
Molecular FormulaC15H15F3N2S
Molecular Weight312.36 g/mol
Exact Mass312.09
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1cccc(C(F)(F)F)c1)c1nc2c(s1)CCC2
InChIInChI=1S/C15H15F3N2S/c1-19-13(14-20-11-6-3-7-12(11)21-14)9-4-2-5-10(8-9)15(16,17)18/h2,4-5,8,13,19H,3,6-7H2,1H3
InChIKeyZOPMVKYHOXYCOU-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine (CID 61330377) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine is CNC(c1cccc(C(F)(F)F)c1)c1nc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ZOPMVKYHOXYCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2S/c1-19-13(14-20-11-6-3-7-12(11)21-14)9-4-2-5-10(8-9)15(16,17)18/h2,4-5,8,13,19H,3,6-7H2,1H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 312.36 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 61330377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).