(2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(2-oxo-2-pyridin-3-ylethylidene)-1,3-thiazolidin-4-one

C20H16N2O3S — CID 90120591

IUPAC(2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(2-oxo-2-pyridin-3-ylethylidene)-1,3-thiazolidin-4-one
SMILESO=C(/C=c1\[nH]c(=O)/c(=C/c2ccc3c(c2)CCCO3)s1)c1cccnc1
InChIInChI=1S/C20H16N2O3S/c23-16(15-3-1-7-21-12-15)11-19-22-20(24)18(26-19)10-13-5-6-17-14(9-13)4-2-8-25-17/h1,3,5-7,9-12H,2,4,8H2,(H,22,24)/b18-10-,19-11+
InChIKeyHKDOVJRAFYHVMX-OMYAATJGSA-N
MW364.43 g/mol
LogP1.65
Rot. Bonds3

About (2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(2-oxo-2-pyridin-3-ylethylidene)-1,3-thiazolidin-4-one

(2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(2-oxo-2-pyridin-3-ylethylidene)-1,3-thiazolidin-4-one (PubChem CID 90120591) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is (2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(2-oxo-2-pyridin-3-ylethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(2-oxo-2-pyridin-3-ylethylidene)-1,3-thiazolidin-4-one
PubChem CID90120591
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name(2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(2-oxo-2-pyridin-3-ylethylidene)-1,3-thiazolidin-4-one
SMILESO=C(/C=c1\[nH]c(=O)/c(=C/c2ccc3c(c2)CCCO3)s1)c1cccnc1
InChIInChI=1S/C20H16N2O3S/c23-16(15-3-1-7-21-12-15)11-19-22-20(24)18(26-19)10-13-5-6-17-14(9-13)4-2-8-25-17/h1,3,5-7,9-12H,2,4,8H2,(H,22,24)/b18-10-,19-11+
InChIKeyHKDOVJRAFYHVMX-OMYAATJGSA-N
XLogP1.65
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(2-oxo-2-pyridin-3-ylethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(2-oxo-2-pyridin-3-ylethylidene)-1,3-thiazolidin-4-one (CID 90120591) is (2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(2-oxo-2-pyridin-3-ylethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(2-oxo-2-pyridin-3-ylethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(2-oxo-2-pyridin-3-ylethylidene)-1,3-thiazolidin-4-one is O=C(/C=c1\[nH]c(=O)/c(=C/c2ccc3c(c2)CCCO3)s1)c1cccnc1.
What is the InChIKey of (2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(2-oxo-2-pyridin-3-ylethylidene)-1,3-thiazolidin-4-one?
The InChIKey is HKDOVJRAFYHVMX-OMYAATJGSA-N. The full InChI is InChI=1S/C20H16N2O3S/c23-16(15-3-1-7-21-12-15)11-19-22-20(24)18(26-19)10-13-5-6-17-14(9-13)4-2-8-25-17/h1,3,5-7,9-12H,2,4,8H2,(H,22,24)/b18-10-,19-11+.
What are the key properties of (2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(2-oxo-2-pyridin-3-ylethylidene)-1,3-thiazolidin-4-one?
(2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(2-oxo-2-pyridin-3-ylethylidene)-1,3-thiazolidin-4-one has a molecular weight of 364.43 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(2-oxo-2-pyridin-3-ylethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 90120591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).