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

C13H13FN2S — CID 61330104

IUPAC5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-fluorophenyl)methanamine
SMILESNC(c1nc2c(s1)CCC2)c1ccccc1F
InChIInChI=1S/C13H13FN2S/c14-9-5-2-1-4-8(9)12(15)13-16-10-6-3-7-11(10)17-13/h1-2,4-5,12H,3,6-7,15H2
InChIKeyLNSPRQBWYURPQI-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.82
Rot. Bonds2

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

5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-fluorophenyl)methanamine (PubChem CID 61330104) has the molecular formula C13H13FN2S and a molecular weight of 248.33 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-fluorophenyl)methanamine.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-fluorophenyl)methanamine
PubChem CID61330104
Molecular FormulaC13H13FN2S
Molecular Weight248.33 g/mol
Exact Mass248.08
IUPAC Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-fluorophenyl)methanamine
SMILESNC(c1nc2c(s1)CCC2)c1ccccc1F
InChIInChI=1S/C13H13FN2S/c14-9-5-2-1-4-8(9)12(15)13-16-10-6-3-7-11(10)17-13/h1-2,4-5,12H,3,6-7,15H2
InChIKeyLNSPRQBWYURPQI-UHFFFAOYSA-N
XLogP2.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-fluorophenyl)methanamine?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-fluorophenyl)methanamine (CID 61330104) is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-fluorophenyl)methanamine.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-fluorophenyl)methanamine?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-fluorophenyl)methanamine is NC(c1nc2c(s1)CCC2)c1ccccc1F.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-fluorophenyl)methanamine?
The InChIKey is LNSPRQBWYURPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2S/c14-9-5-2-1-4-8(9)12(15)13-16-10-6-3-7-11(10)17-13/h1-2,4-5,12H,3,6-7,15H2.
What are the key properties of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-fluorophenyl)methanamine?
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-fluorophenyl)methanamine has a molecular weight of 248.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-fluorophenyl)methanamine is sourced from PubChem (CID 61330104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).