(2Z)-2-[(5Z)-3-(4-chlorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile

C27H17ClN4O2S — CID 2466221

IUPAC(2Z)-2-[(5Z)-3-(4-chlorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile
SMILESCc1[nH]c2ccccc2c1C(=O)/C(C#N)=c1\s/c(=C\c2ccccn2)c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C27H17ClN4O2S/c1-16-24(20-7-2-3-8-22(20)31-16)25(33)21(15-29)27-32(19-11-9-17(28)10-12-19)26(34)23(35-27)14-18-6-4-5-13-30-18/h2-14,31H,1H3/b23-14-,27-21-
InChIKeyMHYIXUZXPVMJJU-CHDFSZLXSA-N
MW496.98 g/mol
LogP4.12
Rot. Bonds4

About (2Z)-2-[(5Z)-3-(4-chlorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile

(2Z)-2-[(5Z)-3-(4-chlorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile (PubChem CID 2466221) has the molecular formula C27H17ClN4O2S and a molecular weight of 496.98 g/mol. Its IUPAC name is (2Z)-2-[(5Z)-3-(4-chlorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile.

Molecular Properties

Compound Name(2Z)-2-[(5Z)-3-(4-chlorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile
PubChem CID2466221
Molecular FormulaC27H17ClN4O2S
Molecular Weight496.98 g/mol
Exact Mass496.08
IUPAC Name(2Z)-2-[(5Z)-3-(4-chlorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile
SMILESCc1[nH]c2ccccc2c1C(=O)/C(C#N)=c1\s/c(=C\c2ccccn2)c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C27H17ClN4O2S/c1-16-24(20-7-2-3-8-22(20)31-16)25(33)21(15-29)27-32(19-11-9-17(28)10-12-19)26(34)23(35-27)14-18-6-4-5-13-30-18/h2-14,31H,1H3/b23-14-,27-21-
InChIKeyMHYIXUZXPVMJJU-CHDFSZLXSA-N
XLogP4.12
TPSA91.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.98
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2Z)-2-[(5Z)-3-(4-chlorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile with MolForge

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Related Compounds

3-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-oxopropanenitrile
CID 5059858
3-(4-fluorophenyl)-2-[3-(3-methoxyphenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-oxopropanenitrile
CID 74444055
(2Z)-2-cyano-2-[(5E)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide
CID 2488074
2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
CID 90828726
(2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-chlorophenyl)-2-cyanoacetamide
CID 56969930
ethyl 5-[2-cyano-2-[3-(4-methylphenyl)-5-[(4-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 4304311
ethyl 5-[(2Z)-2-cyano-2-[(5Z)-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 2374878
2-[3-(4-chlorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclopropylacetamide
CID 4568886
(2E)-2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-phenylpropanenitrile
CID 2401731
(2Z)-N-(4-chlorophenyl)-2-cyano-2-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 56969931
methyl 4-[(Z)-[(2Z)-3-(4-chlorophenyl)-2-[1-cyano-2-oxo-2-(4-propylphenyl)ethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 2472888
(Z)-3-(2-chlorophenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 74766169

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5Z)-3-(4-chlorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile?
The IUPAC name of (2Z)-2-[(5Z)-3-(4-chlorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile (CID 2466221) is (2Z)-2-[(5Z)-3-(4-chlorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile.
What is the SMILES notation for (2Z)-2-[(5Z)-3-(4-chlorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile?
The canonical SMILES for (2Z)-2-[(5Z)-3-(4-chlorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile is Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=c1\s/c(=C\c2ccccn2)c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of (2Z)-2-[(5Z)-3-(4-chlorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile?
The InChIKey is MHYIXUZXPVMJJU-CHDFSZLXSA-N. The full InChI is InChI=1S/C27H17ClN4O2S/c1-16-24(20-7-2-3-8-22(20)31-16)25(33)21(15-29)27-32(19-11-9-17(28)10-12-19)26(34)23(35-27)14-18-6-4-5-13-30-18/h2-14,31H,1H3/b23-14-,27-21-.
What are the key properties of (2Z)-2-[(5Z)-3-(4-chlorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile?
(2Z)-2-[(5Z)-3-(4-chlorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile has a molecular weight of 496.98 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5Z)-3-(4-chlorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile is sourced from PubChem (CID 2466221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).