5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]-2-fluorobenzoic acid

C19H21FN2O2S — CID 166267714

IUPAC5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]-2-fluorobenzoic acid
SMILESO=C(O)c1cc(CN2CCC(c3nc4c(s3)CCC4)CC2)ccc1F
InChIInChI=1S/C19H21FN2O2S/c20-15-5-4-12(10-14(15)19(23)24)11-22-8-6-13(7-9-22)18-21-16-2-1-3-17(16)25-18/h4-5,10,13H,1-3,6-9,11H2,(H,23,24)
InChIKeyZAFCYIYYNYISFX-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.85
Rot. Bonds4

About 5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]-2-fluorobenzoic acid

5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]-2-fluorobenzoic acid (PubChem CID 166267714) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is 5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]-2-fluorobenzoic acid
PubChem CID166267714
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]-2-fluorobenzoic acid
SMILESO=C(O)c1cc(CN2CCC(c3nc4c(s3)CCC4)CC2)ccc1F
InChIInChI=1S/C19H21FN2O2S/c20-15-5-4-12(10-14(15)19(23)24)11-22-8-6-13(7-9-22)18-21-16-2-1-3-17(16)25-18/h4-5,10,13H,1-3,6-9,11H2,(H,23,24)
InChIKeyZAFCYIYYNYISFX-UHFFFAOYSA-N
XLogP3.85
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]-2-fluorobenzoic acid?
The IUPAC name of 5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]-2-fluorobenzoic acid (CID 166267714) is 5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]-2-fluorobenzoic acid.
What is the SMILES notation for 5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]-2-fluorobenzoic acid?
The canonical SMILES for 5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]-2-fluorobenzoic acid is O=C(O)c1cc(CN2CCC(c3nc4c(s3)CCC4)CC2)ccc1F.
What is the InChIKey of 5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]-2-fluorobenzoic acid?
The InChIKey is ZAFCYIYYNYISFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c20-15-5-4-12(10-14(15)19(23)24)11-22-8-6-13(7-9-22)18-21-16-2-1-3-17(16)25-18/h4-5,10,13H,1-3,6-9,11H2,(H,23,24).
What are the key properties of 5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]-2-fluorobenzoic acid?
5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]-2-fluorobenzoic acid has a molecular weight of 360.45 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]-2-fluorobenzoic acid is sourced from PubChem (CID 166267714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).