(2Z)-2-[(5E)-3-(furan-2-ylmethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile

C21H19N3O3S2 — CID 2554125

IUPAC(2Z)-2-[(5E)-3-(furan-2-ylmethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
SMILESCc1ccc(/C=c2/s/c(=C(/C#N)C(=O)N3CCCC3)n(Cc3ccco3)c2=O)s1
InChIInChI=1S/C21H19N3O3S2/c1-14-6-7-16(28-14)11-18-20(26)24(13-15-5-4-10-27-15)21(29-18)17(12-22)19(25)23-8-2-3-9-23/h4-7,10-11H,2-3,8-9,13H2,1H3/b18-11+,21-17-
InChIKeyHZGNJFVUZQYUIV-XKQJRBCRSA-N
MW425.54 g/mol
LogP2.05
Rot. Bonds4

About (2Z)-2-[(5E)-3-(furan-2-ylmethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile

(2Z)-2-[(5E)-3-(furan-2-ylmethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile (PubChem CID 2554125) has the molecular formula C21H19N3O3S2 and a molecular weight of 425.54 g/mol. Its IUPAC name is (2Z)-2-[(5E)-3-(furan-2-ylmethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile.

Molecular Properties

Compound Name(2Z)-2-[(5E)-3-(furan-2-ylmethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
PubChem CID2554125
Molecular FormulaC21H19N3O3S2
Molecular Weight425.54 g/mol
Exact Mass425.09
IUPAC Name(2Z)-2-[(5E)-3-(furan-2-ylmethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
SMILESCc1ccc(/C=c2/s/c(=C(/C#N)C(=O)N3CCCC3)n(Cc3ccco3)c2=O)s1
InChIInChI=1S/C21H19N3O3S2/c1-14-6-7-16(28-14)11-18-20(26)24(13-15-5-4-10-27-15)21(29-18)17(12-22)19(25)23-8-2-3-9-23/h4-7,10-11H,2-3,8-9,13H2,1H3/b18-11+,21-17-
InChIKeyHZGNJFVUZQYUIV-XKQJRBCRSA-N
XLogP2.05
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-oxo-2-[4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-pyrrolidin-1-ylpropanenitrile
CID 3432236
(2Z)-2-[(5Z)-5-[(2,6-difluorophenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 2365989
(2Z)-2-[(5Z)-3-ethyl-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
CID 17405491
(2Z)-2-[(5E)-5-benzylidene-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 18209549
(2Z)-2-[(5Z)-3-benzyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
CID 2398787
(2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
CID 91659282
(2Z)-2-[(5Z)-3-(furan-2-ylmethyl)-5-[(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 2377509
(2Z)-2-[(5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 2113137
(E)-3-(5-methylthiophen-2-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
CID 2427260
2-[5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
CID 4311206
2-[(5E)-3-(2-ethylphenyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8862370
2-[5-[(4-chlorophenyl)methylidene]-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 3434310

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5E)-3-(furan-2-ylmethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile?
The IUPAC name of (2Z)-2-[(5E)-3-(furan-2-ylmethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile (CID 2554125) is (2Z)-2-[(5E)-3-(furan-2-ylmethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile.
What is the SMILES notation for (2Z)-2-[(5E)-3-(furan-2-ylmethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile?
The canonical SMILES for (2Z)-2-[(5E)-3-(furan-2-ylmethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile is Cc1ccc(/C=c2/s/c(=C(/C#N)C(=O)N3CCCC3)n(Cc3ccco3)c2=O)s1.
What is the InChIKey of (2Z)-2-[(5E)-3-(furan-2-ylmethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile?
The InChIKey is HZGNJFVUZQYUIV-XKQJRBCRSA-N. The full InChI is InChI=1S/C21H19N3O3S2/c1-14-6-7-16(28-14)11-18-20(26)24(13-15-5-4-10-27-15)21(29-18)17(12-22)19(25)23-8-2-3-9-23/h4-7,10-11H,2-3,8-9,13H2,1H3/b18-11+,21-17-.
What are the key properties of (2Z)-2-[(5E)-3-(furan-2-ylmethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile?
(2Z)-2-[(5E)-3-(furan-2-ylmethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile has a molecular weight of 425.54 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5E)-3-(furan-2-ylmethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile is sourced from PubChem (CID 2554125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).