(2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-(1H-imidazol-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

C14H15N5O2S — CID 58794552

IUPAC(2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-(1H-imidazol-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
SMILESCCNC(=O)/C(C#N)=c1\s/c(=C\c2cnc[nH]2)c(=O)n1CC
InChIInChI=1S/C14H15N5O2S/c1-3-17-12(20)10(6-15)14-19(4-2)13(21)11(22-14)5-9-7-16-8-18-9/h5,7-8H,3-4H2,1-2H3,(H,16,18)(H,17,20)/b11-5-,14-10-
InChIKeyHQZBXCIKOSYAKA-JVDHKQJKSA-N
MW317.37 g/mol
LogP-0.71
Rot. Bonds4

About (2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-(1H-imidazol-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

(2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-(1H-imidazol-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 58794552) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is (2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-(1H-imidazol-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-(1H-imidazol-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID58794552
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name(2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-(1H-imidazol-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
SMILESCCNC(=O)/C(C#N)=c1\s/c(=C\c2cnc[nH]2)c(=O)n1CC
InChIInChI=1S/C14H15N5O2S/c1-3-17-12(20)10(6-15)14-19(4-2)13(21)11(22-14)5-9-7-16-8-18-9/h5,7-8H,3-4H2,1-2H3,(H,16,18)(H,17,20)/b11-5-,14-10-
InChIKeyHQZBXCIKOSYAKA-JVDHKQJKSA-N
XLogP-0.71
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-(1H-imidazol-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide with MolForge

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Related Compounds

(2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 58794475
2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
CID 91372698
2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
CID 90828726
2-cyano-N-(cyanomethyl)-2-[3-ethyl-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 90896852
(2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-(hydroxymethyl)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 58796280
tert-butyl N-[6-[[2-[1-cyano-2-(ethylamino)-2-oxoethylidene]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methylamino]-2-pyridinyl]carbamate
CID 70918523
(2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[2-(ethylamino)-2-oxoethoxy]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 58795957
(2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3-methoxypropyl)acetamide
CID 2374787
(2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 58795858
(2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(2-methoxyethoxy)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 58813070
2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 70918488
(2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(N-methylanilino)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 58796199

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-(1H-imidazol-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of (2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-(1H-imidazol-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (CID 58794552) is (2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-(1H-imidazol-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for (2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-(1H-imidazol-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for (2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-(1H-imidazol-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is CCNC(=O)/C(C#N)=c1\s/c(=C\c2cnc[nH]2)c(=O)n1CC.
What is the InChIKey of (2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-(1H-imidazol-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is HQZBXCIKOSYAKA-JVDHKQJKSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-3-17-12(20)10(6-15)14-19(4-2)13(21)11(22-14)5-9-7-16-8-18-9/h5,7-8H,3-4H2,1-2H3,(H,16,18)(H,17,20)/b11-5-,14-10-.
What are the key properties of (2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-(1H-imidazol-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
(2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-(1H-imidazol-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 317.37 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-(1H-imidazol-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 58794552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).