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

C14H15FN2S — CID 61329984

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1)c1nc2c(s1)CCC2
InChIInChI=1S/C14H15FN2S/c1-16-13(9-5-7-10(15)8-6-9)14-17-11-3-2-4-12(11)18-14/h5-8,13,16H,2-4H2,1H3
InChIKeyNDNVDVOUKPXBDH-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.08
Rot. Bonds3

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

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine (PubChem CID 61329984) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
PubChem CID61329984
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1)c1nc2c(s1)CCC2
InChIInChI=1S/C14H15FN2S/c1-16-13(9-5-7-10(15)8-6-9)14-17-11-3-2-4-12(11)18-14/h5-8,13,16H,2-4H2,1H3
InChIKeyNDNVDVOUKPXBDH-UHFFFAOYSA-N
XLogP3.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.08
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-(4-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine (CID 61329984) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine is CNC(c1ccc(F)cc1)c1nc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine?
The InChIKey is NDNVDVOUKPXBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-16-13(9-5-7-10(15)8-6-9)14-17-11-3-2-4-12(11)18-14/h5-8,13,16H,2-4H2,1H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine has a molecular weight of 262.35 g/mol, XLogP of 3.08, 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-(4-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 61329984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).