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

C15H17FN2S — CID 61331838

IUPACN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)c1nc2c(s1)CCC2
InChIInChI=1S/C15H17FN2S/c1-2-17-14(10-5-3-6-11(16)9-10)15-18-12-7-4-8-13(12)19-15/h3,5-6,9,14,17H,2,4,7-8H2,1H3
InChIKeyMQGDMWKBZNPZQE-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.47
Rot. Bonds4

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

N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-fluorophenyl)methyl]ethanamine (PubChem CID 61331838) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-fluorophenyl)methyl]ethanamine
PubChem CID61331838
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)c1nc2c(s1)CCC2
InChIInChI=1S/C15H17FN2S/c1-2-17-14(10-5-3-6-11(16)9-10)15-18-12-7-4-8-13(12)19-15/h3,5-6,9,14,17H,2,4,7-8H2,1H3
InChIKeyMQGDMWKBZNPZQE-UHFFFAOYSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-fluorophenyl)methyl]ethanamine (CID 61331838) is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-fluorophenyl)methyl]ethanamine is CCNC(c1cccc(F)c1)c1nc2c(s1)CCC2.
What is the InChIKey of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-fluorophenyl)methyl]ethanamine?
The InChIKey is MQGDMWKBZNPZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c1-2-17-14(10-5-3-6-11(16)9-10)15-18-12-7-4-8-13(12)19-15/h3,5-6,9,14,17H,2,4,7-8H2,1H3.
What are the key properties of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-fluorophenyl)methyl]ethanamine?
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-fluorophenyl)methyl]ethanamine has a molecular weight of 276.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 61331838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).