(2E)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-2-[(5Z)-4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide

C22H19N3O3S2 — CID 6598580

IUPAC(2E)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-2-[(5Z)-4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
SMILESN#C/C(C(=O)NC[C@H]1CCCO1)=c1\s/c(=C\c2cccs2)c(=O)n1-c1ccccc1
InChIInChI=1S/C22H19N3O3S2/c23-13-18(20(26)24-14-16-8-4-10-28-16)22-25(15-6-2-1-3-7-15)21(27)19(30-22)12-17-9-5-11-29-17/h1-3,5-7,9,11-12,16H,4,8,10,14H2,(H,24,26)/b19-12-,22-18+/t16-/m1/s1
InChIKeyQTJUBBQJNIXKPS-KOXSTQHXSA-N
MW437.55 g/mol
LogP1.76
Rot. Bonds5

About (2E)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-2-[(5Z)-4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide

(2E)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-2-[(5Z)-4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 6598580) has the molecular formula C22H19N3O3S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is (2E)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-2-[(5Z)-4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound Name(2E)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-2-[(5Z)-4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID6598580
Molecular FormulaC22H19N3O3S2
Molecular Weight437.55 g/mol
Exact Mass437.09
IUPAC Name(2E)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-2-[(5Z)-4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
SMILESN#C/C(C(=O)NC[C@H]1CCCO1)=c1\s/c(=C\c2cccs2)c(=O)n1-c1ccccc1
InChIInChI=1S/C22H19N3O3S2/c23-13-18(20(26)24-14-16-8-4-10-28-16)22-25(15-6-2-1-3-7-15)21(27)19(30-22)12-17-9-5-11-29-17/h1-3,5-7,9,11-12,16H,4,8,10,14H2,(H,24,26)/b19-12-,22-18+/t16-/m1/s1
InChIKeyQTJUBBQJNIXKPS-KOXSTQHXSA-N
XLogP1.76
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2E)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-2-[(5Z)-4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-cyano-2-[4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide
CID 3968899
(E)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-3-thiophen-2-ylprop-2-enamide
CID 6346464
(2Z)-N-benzyl-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
CID 2028555
(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
(E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 896790
2-cyano-2-[5-[(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-N-(oxolan-2-ylmethyl)acetamide
CID 4675715
(Z)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylprop-2-enamide
CID 2369962
(2Z)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
CID 2428574
(2Z)-2-[(5Z)-4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile
CID 2309318
(E)-2-cyano-3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 21216263
2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide
CID 3542035
(2Z)-2-[(5E)-3-methyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-oxo-3-thiophen-2-ylpropanenitrile
CID 17454409

Frequently Asked Questions

What is the IUPAC name of (2E)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-2-[(5Z)-4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of (2E)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-2-[(5Z)-4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide (CID 6598580) is (2E)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-2-[(5Z)-4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for (2E)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-2-[(5Z)-4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for (2E)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-2-[(5Z)-4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide is N#C/C(C(=O)NC[C@H]1CCCO1)=c1\s/c(=C\c2cccs2)c(=O)n1-c1ccccc1.
What is the InChIKey of (2E)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-2-[(5Z)-4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is QTJUBBQJNIXKPS-KOXSTQHXSA-N. The full InChI is InChI=1S/C22H19N3O3S2/c23-13-18(20(26)24-14-16-8-4-10-28-16)22-25(15-6-2-1-3-7-15)21(27)19(30-22)12-17-9-5-11-29-17/h1-3,5-7,9,11-12,16H,4,8,10,14H2,(H,24,26)/b19-12-,22-18+/t16-/m1/s1.
What are the key properties of (2E)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-2-[(5Z)-4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide?
(2E)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-2-[(5Z)-4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 437.55 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-2-[(5Z)-4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 6598580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).