(2Z)-2-[(5E)-3-(2-methoxyethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile

C19H22N2O3S2 — CID 2406463

IUPAC(2Z)-2-[(5E)-3-(2-methoxyethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile
SMILESCOCCn1c(=O)/c(=C\c2ccc(C)s2)s/c1=C(/C#N)C(=O)C(C)(C)C
InChIInChI=1S/C19H22N2O3S2/c1-12-6-7-13(25-12)10-15-17(23)21(8-9-24-5)18(26-15)14(11-20)16(22)19(2,3)4/h6-7,10H,8-9H2,1-5H3/b15-10+,18-14-
InChIKeyHNLUPUINCSYAFO-HXJVCGSMSA-N
MW390.53 g/mol
LogP2.04
Rot. Bonds5

About (2Z)-2-[(5E)-3-(2-methoxyethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile

(2Z)-2-[(5E)-3-(2-methoxyethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile (PubChem CID 2406463) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (2Z)-2-[(5E)-3-(2-methoxyethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile.

Molecular Properties

Compound Name(2Z)-2-[(5E)-3-(2-methoxyethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile
PubChem CID2406463
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC Name(2Z)-2-[(5E)-3-(2-methoxyethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile
SMILESCOCCn1c(=O)/c(=C\c2ccc(C)s2)s/c1=C(/C#N)C(=O)C(C)(C)C
InChIInChI=1S/C19H22N2O3S2/c1-12-6-7-13(25-12)10-15-17(23)21(8-9-24-5)18(26-15)14(11-20)16(22)19(2,3)4/h6-7,10H,8-9H2,1-5H3/b15-10+,18-14-
InChIKeyHNLUPUINCSYAFO-HXJVCGSMSA-N
XLogP2.04
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2Z)-2-[(5E)-3-(2-methoxyethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5E)-3-(2-methoxyethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile?
The IUPAC name of (2Z)-2-[(5E)-3-(2-methoxyethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile (CID 2406463) is (2Z)-2-[(5E)-3-(2-methoxyethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile.
What is the SMILES notation for (2Z)-2-[(5E)-3-(2-methoxyethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile?
The canonical SMILES for (2Z)-2-[(5E)-3-(2-methoxyethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile is COCCn1c(=O)/c(=C\c2ccc(C)s2)s/c1=C(/C#N)C(=O)C(C)(C)C.
What is the InChIKey of (2Z)-2-[(5E)-3-(2-methoxyethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile?
The InChIKey is HNLUPUINCSYAFO-HXJVCGSMSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-12-6-7-13(25-12)10-15-17(23)21(8-9-24-5)18(26-15)14(11-20)16(22)19(2,3)4/h6-7,10H,8-9H2,1-5H3/b15-10+,18-14-.
What are the key properties of (2Z)-2-[(5E)-3-(2-methoxyethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile?
(2Z)-2-[(5E)-3-(2-methoxyethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile has a molecular weight of 390.53 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5E)-3-(2-methoxyethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile is sourced from PubChem (CID 2406463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).