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

C15H16F2N2S — CID 115524807

IUPAC1-[4-(difluoromethyl)phenyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(C(F)F)cc1)c1nc2c(s1)CCC2
InChIInChI=1S/C15H16F2N2S/c1-18-13(9-5-7-10(8-6-9)14(16)17)15-19-11-3-2-4-12(11)20-15/h5-8,13-14,18H,2-4H2,1H3
InChIKeyAANBGYABPSDKGZ-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.88
Rot. Bonds4

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

1-[4-(difluoromethyl)phenyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine (PubChem CID 115524807) has the molecular formula C15H16F2N2S and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)phenyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethyl)phenyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
PubChem CID115524807
Molecular FormulaC15H16F2N2S
Molecular Weight294.37 g/mol
Exact Mass294.10
IUPAC Name1-[4-(difluoromethyl)phenyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(C(F)F)cc1)c1nc2c(s1)CCC2
InChIInChI=1S/C15H16F2N2S/c1-18-13(9-5-7-10(8-6-9)14(16)17)15-19-11-3-2-4-12(11)20-15/h5-8,13-14,18H,2-4H2,1H3
InChIKeyAANBGYABPSDKGZ-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)phenyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-[4-(difluoromethyl)phenyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine (CID 115524807) is 1-[4-(difluoromethyl)phenyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-[4-(difluoromethyl)phenyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-[4-(difluoromethyl)phenyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine is CNC(c1ccc(C(F)F)cc1)c1nc2c(s1)CCC2.
What is the InChIKey of 1-[4-(difluoromethyl)phenyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine?
The InChIKey is AANBGYABPSDKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2S/c1-18-13(9-5-7-10(8-6-9)14(16)17)15-19-11-3-2-4-12(11)20-15/h5-8,13-14,18H,2-4H2,1H3.
What are the key properties of 1-[4-(difluoromethyl)phenyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine?
1-[4-(difluoromethyl)phenyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine has a molecular weight of 294.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)phenyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 115524807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).