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

C14H14F2N2S — CID 61330774

IUPAC1-(3,4-difluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(F)c1)c1nc2c(s1)CCC2
InChIInChI=1S/C14H14F2N2S/c1-17-13(8-5-6-9(15)10(16)7-8)14-18-11-3-2-4-12(11)19-14/h5-7,13,17H,2-4H2,1H3
InChIKeyTZSFCCXQUFKDAC-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.22
Rot. Bonds3

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

1-(3,4-difluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine (PubChem CID 61330774) has the molecular formula C14H14F2N2S and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
PubChem CID61330774
Molecular FormulaC14H14F2N2S
Molecular Weight280.34 g/mol
Exact Mass280.08
IUPAC Name1-(3,4-difluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(F)c1)c1nc2c(s1)CCC2
InChIInChI=1S/C14H14F2N2S/c1-17-13(8-5-6-9(15)10(16)7-8)14-18-11-3-2-4-12(11)19-14/h5-7,13,17H,2-4H2,1H3
InChIKeyTZSFCCXQUFKDAC-UHFFFAOYSA-N
XLogP3.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine (CID 61330774) is 1-(3,4-difluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine is CNC(c1ccc(F)c(F)c1)c1nc2c(s1)CCC2.
What is the InChIKey of 1-(3,4-difluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine?
The InChIKey is TZSFCCXQUFKDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2S/c1-17-13(8-5-6-9(15)10(16)7-8)14-18-11-3-2-4-12(11)19-14/h5-7,13,17H,2-4H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine?
1-(3,4-difluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine has a molecular weight of 280.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 61330774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).