(2S)-2-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

C17H15FN4O2S — CID 99964551

IUPAC(2S)-2-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CS[C@@H](c2cn(Cc3cccc(F)c3)nn2)N1Cc1ccco1
InChIInChI=1S/C17H15FN4O2S/c18-13-4-1-3-12(7-13)8-21-10-15(19-20-21)17-22(16(23)11-25-17)9-14-5-2-6-24-14/h1-7,10,17H,8-9,11H2/t17-/m0/s1
InChIKeyLEAJYUUVGCJYPL-KRWDZBQOSA-N
MW358.40 g/mol
LogP2.83
Rot. Bonds5

About (2S)-2-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

(2S)-2-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 99964551) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is (2S)-2-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-2-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID99964551
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC Name(2S)-2-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CS[C@@H](c2cn(Cc3cccc(F)c3)nn2)N1Cc1ccco1
InChIInChI=1S/C17H15FN4O2S/c18-13-4-1-3-12(7-13)8-21-10-15(19-20-21)17-22(16(23)11-25-17)9-14-5-2-6-24-14/h1-7,10,17H,8-9,11H2/t17-/m0/s1
InChIKeyLEAJYUUVGCJYPL-KRWDZBQOSA-N
XLogP2.83
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-2-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (CID 99964551) is (2S)-2-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-2-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-2-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is O=C1CS[C@@H](c2cn(Cc3cccc(F)c3)nn2)N1Cc1ccco1.
What is the InChIKey of (2S)-2-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is LEAJYUUVGCJYPL-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H15FN4O2S/c18-13-4-1-3-12(7-13)8-21-10-15(19-20-21)17-22(16(23)11-25-17)9-14-5-2-6-24-14/h1-7,10,17H,8-9,11H2/t17-/m0/s1.
What are the key properties of (2S)-2-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
(2S)-2-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 358.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 99964551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).