(2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(4-hydroxy-3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one

C19H21NO4S — CID 144618867

IUPAC(2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(4-hydroxy-3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one
SMILESCC(C)(CO)C(=O)/C=c1\[nH]c(=O)/c(=C/c2ccc3c(c2)CCCO3)s1
InChIInChI=1S/C19H21NO4S/c1-19(2,11-21)16(22)10-17-20-18(23)15(25-17)9-12-5-6-14-13(8-12)4-3-7-24-14/h5-6,8-10,21H,3-4,7,11H2,1-2H3,(H,20,23)/b15-9-,17-10+
InChIKeySXERKHHRWLZEPH-NQZUYODNSA-N
MW359.45 g/mol
LogP0.96
Rot. Bonds4

About (2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(4-hydroxy-3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one

(2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(4-hydroxy-3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one (PubChem CID 144618867) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is (2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(4-hydroxy-3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(4-hydroxy-3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one
PubChem CID144618867
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name(2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(4-hydroxy-3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one
SMILESCC(C)(CO)C(=O)/C=c1\[nH]c(=O)/c(=C/c2ccc3c(c2)CCCO3)s1
InChIInChI=1S/C19H21NO4S/c1-19(2,11-21)16(22)10-17-20-18(23)15(25-17)9-12-5-6-14-13(8-12)4-3-7-24-14/h5-6,8-10,21H,3-4,7,11H2,1-2H3,(H,20,23)/b15-9-,17-10+
InChIKeySXERKHHRWLZEPH-NQZUYODNSA-N
XLogP0.96
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(4-hydroxy-3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(4-hydroxy-3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(4-hydroxy-3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one (CID 144618867) is (2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(4-hydroxy-3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(4-hydroxy-3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(4-hydroxy-3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one is CC(C)(CO)C(=O)/C=c1\[nH]c(=O)/c(=C/c2ccc3c(c2)CCCO3)s1.
What is the InChIKey of (2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(4-hydroxy-3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one?
The InChIKey is SXERKHHRWLZEPH-NQZUYODNSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-19(2,11-21)16(22)10-17-20-18(23)15(25-17)9-12-5-6-14-13(8-12)4-3-7-24-14/h5-6,8-10,21H,3-4,7,11H2,1-2H3,(H,20,23)/b15-9-,17-10+.
What are the key properties of (2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(4-hydroxy-3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one?
(2E,5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-(4-hydroxy-3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one has a molecular weight of 359.45 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 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-(4-hydroxy-3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 144618867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).