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

C15H17FN2S — CID 55244805

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(F)c1)c1nc2c(s1)CCC2
InChIInChI=1S/C15H17FN2S/c1-9-6-7-10(8-11(9)16)14(17-2)15-18-12-4-3-5-13(12)19-15/h6-8,14,17H,3-5H2,1-2H3
InChIKeyQCJNZXAFDFBXAO-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.39
Rot. Bonds3

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

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine (PubChem CID 55244805) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
PubChem CID55244805
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(F)c1)c1nc2c(s1)CCC2
InChIInChI=1S/C15H17FN2S/c1-9-6-7-10(8-11(9)16)14(17-2)15-18-12-4-3-5-13(12)19-15/h6-8,14,17H,3-5H2,1-2H3
InChIKeyQCJNZXAFDFBXAO-UHFFFAOYSA-N
XLogP3.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.39
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)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine (CID 55244805) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine is CNC(c1ccc(C)c(F)c1)c1nc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The InChIKey is QCJNZXAFDFBXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c1-9-6-7-10(8-11(9)16)14(17-2)15-18-12-4-3-5-13(12)19-15/h6-8,14,17H,3-5H2,1-2H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine has a molecular weight of 276.38 g/mol, XLogP of 3.39, 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)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 55244805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).