1-(2,4-difluorophenyl)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]ethanamine

C16H18F2N2S — CID 75395422

IUPAC1-(2,4-difluorophenyl)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]ethanamine
SMILESCC(NC(C)c1ccc(F)cc1F)c1nc2c(s1)CCC2
InChIInChI=1S/C16H18F2N2S/c1-9(12-7-6-11(17)8-13(12)18)19-10(2)16-20-14-4-3-5-15(14)21-16/h6-10,19H,3-5H2,1-2H3
InChIKeyQQUIADPCFWZFLX-UHFFFAOYSA-N
MW308.40 g/mol
LogP4.32
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]ethanamine

1-(2,4-difluorophenyl)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]ethanamine (PubChem CID 75395422) has the molecular formula C16H18F2N2S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]ethanamine
PubChem CID75395422
Molecular FormulaC16H18F2N2S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-(2,4-difluorophenyl)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]ethanamine
SMILESCC(NC(C)c1ccc(F)cc1F)c1nc2c(s1)CCC2
InChIInChI=1S/C16H18F2N2S/c1-9(12-7-6-11(17)8-13(12)18)19-10(2)16-20-14-4-3-5-15(14)21-16/h6-10,19H,3-5H2,1-2H3
InChIKeyQQUIADPCFWZFLX-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]ethanamine (CID 75395422) is 1-(2,4-difluorophenyl)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]ethanamine is CC(NC(C)c1ccc(F)cc1F)c1nc2c(s1)CCC2.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]ethanamine?
The InChIKey is QQUIADPCFWZFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2S/c1-9(12-7-6-11(17)8-13(12)18)19-10(2)16-20-14-4-3-5-15(14)21-16/h6-10,19H,3-5H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]ethanamine?
1-(2,4-difluorophenyl)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]ethanamine has a molecular weight of 308.40 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 75395422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).