(2Z)-2-ethylidene-5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-4-one

C19H18N2O2S — CID 143665433

IUPAC(2Z)-2-ethylidene-5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-4-one
SMILESC/C=C1/NC(=O)C([C@@H]2CCc3cc(Oc4ccncc4)ccc32)S1
InChIInChI=1S/C19H18N2O2S/c1-2-17-21-19(22)18(24-17)16-5-3-12-11-14(4-6-15(12)16)23-13-7-9-20-10-8-13/h2,4,6-11,16,18H,3,5H2,1H3,(H,21,22)/b17-2-/t16-,18?/m1/s1
InChIKeyLHJBSWWXWYZMRL-ZPCVEJSDSA-N
MW338.43 g/mol
LogP4.00
Rot. Bonds3

About (2Z)-2-ethylidene-5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-4-one

(2Z)-2-ethylidene-5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-4-one (PubChem CID 143665433) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is (2Z)-2-ethylidene-5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-ethylidene-5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-4-one
PubChem CID143665433
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name(2Z)-2-ethylidene-5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-4-one
SMILESC/C=C1/NC(=O)C([C@@H]2CCc3cc(Oc4ccncc4)ccc32)S1
InChIInChI=1S/C19H18N2O2S/c1-2-17-21-19(22)18(24-17)16-5-3-12-11-14(4-6-15(12)16)23-13-7-9-20-10-8-13/h2,4,6-11,16,18H,3,5H2,1H3,(H,21,22)/b17-2-/t16-,18?/m1/s1
InChIKeyLHJBSWWXWYZMRL-ZPCVEJSDSA-N
XLogP4.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidene-5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-ethylidene-5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-4-one (CID 143665433) is (2Z)-2-ethylidene-5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-ethylidene-5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-ethylidene-5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-4-one is C/C=C1/NC(=O)C([C@@H]2CCc3cc(Oc4ccncc4)ccc32)S1.
What is the InChIKey of (2Z)-2-ethylidene-5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-4-one?
The InChIKey is LHJBSWWXWYZMRL-ZPCVEJSDSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-2-17-21-19(22)18(24-17)16-5-3-12-11-14(4-6-15(12)16)23-13-7-9-20-10-8-13/h2,4,6-11,16,18H,3,5H2,1H3,(H,21,22)/b17-2-/t16-,18?/m1/s1.
What are the key properties of (2Z)-2-ethylidene-5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-4-one?
(2Z)-2-ethylidene-5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-4-one has a molecular weight of 338.43 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 143665433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).