(2Z)-2-cyano-N-cyclopropyl-2-[(5E)-5-(furan-2-ylmethylidene)-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

C18H19N3O4S — CID 2542417

IUPAC(2Z)-2-cyano-N-cyclopropyl-2-[(5E)-5-(furan-2-ylmethylidene)-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
SMILESCOCCCn1c(=O)/c(=C\c2ccco2)s/c1=C(/C#N)C(=O)NC1CC1
InChIInChI=1S/C18H19N3O4S/c1-24-8-3-7-21-17(23)15(10-13-4-2-9-25-13)26-18(21)14(11-19)16(22)20-12-5-6-12/h2,4,9-10,12H,3,5-8H2,1H3,(H,20,22)/b15-10+,18-14-
InChIKeyPYMBDVUWUKGIGJ-HXJVCGSMSA-N
MW373.43 g/mol
LogP0.32
Rot. Bonds7

About (2Z)-2-cyano-N-cyclopropyl-2-[(5E)-5-(furan-2-ylmethylidene)-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

(2Z)-2-cyano-N-cyclopropyl-2-[(5E)-5-(furan-2-ylmethylidene)-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 2542417) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is (2Z)-2-cyano-N-cyclopropyl-2-[(5E)-5-(furan-2-ylmethylidene)-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-N-cyclopropyl-2-[(5E)-5-(furan-2-ylmethylidene)-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID2542417
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name(2Z)-2-cyano-N-cyclopropyl-2-[(5E)-5-(furan-2-ylmethylidene)-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
SMILESCOCCCn1c(=O)/c(=C\c2ccco2)s/c1=C(/C#N)C(=O)NC1CC1
InChIInChI=1S/C18H19N3O4S/c1-24-8-3-7-21-17(23)15(10-13-4-2-9-25-13)26-18(21)14(11-19)16(22)20-12-5-6-12/h2,4,9-10,12H,3,5-8H2,1H3,(H,20,22)/b15-10+,18-14-
InChIKeyPYMBDVUWUKGIGJ-HXJVCGSMSA-N
XLogP0.32
TPSA97.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[(2Z)-2-[(5E)-5-[(4-acetamidophenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetyl]amino]benzoic acid
CID 2443884
(2E)-2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(oxolan-2-ylmethyl)acetamide
CID 167847341
(2E)-2-[(5Z)-5-[(4-chlorophenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 2374780
(2E)-2-cyano-2-[(5Z)-3-(3-methoxypropyl)-5-[(4-methylsulfanylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide
CID 98391833
(2Z)-2-cyano-2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyethyl)acetamide
CID 91896991
(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
(2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3-methoxypropyl)acetamide
CID 2374787
(2E)-2-(1,3-benzothiazol-2-yl)-2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-3-propyl-1,3-thiazolidin-2-ylidene]acetonitrile
CID 2430624
ethyl 4-[[(2Z)-2-[(5E)-5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetyl]amino]piperidine-1-carboxylate
CID 58623943
2-[5-[[2-(difluoromethoxy)phenyl]methylidene]-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-phenylpropanenitrile
CID 3453406
2-[3-(4-chlorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclopropylacetamide
CID 4568886
2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 5223497

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-N-cyclopropyl-2-[(5E)-5-(furan-2-ylmethylidene)-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of (2Z)-2-cyano-N-cyclopropyl-2-[(5E)-5-(furan-2-ylmethylidene)-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (CID 2542417) is (2Z)-2-cyano-N-cyclopropyl-2-[(5E)-5-(furan-2-ylmethylidene)-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for (2Z)-2-cyano-N-cyclopropyl-2-[(5E)-5-(furan-2-ylmethylidene)-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for (2Z)-2-cyano-N-cyclopropyl-2-[(5E)-5-(furan-2-ylmethylidene)-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is COCCCn1c(=O)/c(=C\c2ccco2)s/c1=C(/C#N)C(=O)NC1CC1.
What is the InChIKey of (2Z)-2-cyano-N-cyclopropyl-2-[(5E)-5-(furan-2-ylmethylidene)-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is PYMBDVUWUKGIGJ-HXJVCGSMSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-24-8-3-7-21-17(23)15(10-13-4-2-9-25-13)26-18(21)14(11-19)16(22)20-12-5-6-12/h2,4,9-10,12H,3,5-8H2,1H3,(H,20,22)/b15-10+,18-14-.
What are the key properties of (2Z)-2-cyano-N-cyclopropyl-2-[(5E)-5-(furan-2-ylmethylidene)-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
(2Z)-2-cyano-N-cyclopropyl-2-[(5E)-5-(furan-2-ylmethylidene)-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 373.43 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-N-cyclopropyl-2-[(5E)-5-(furan-2-ylmethylidene)-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 2542417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).