(2E)-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 2466216

IUPAC(2E)-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-IAPNOVOESA-N
MW496.98 g/mol
LogP4.12
Rot. Bonds4

About (2E)-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

(2E)-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 2466216) has the molecular formula C27H17ClN4O2S and a molecular weight of 496.98 g/mol. Its IUPAC name is (2E)-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(2E)-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 CID2466216
Molecular FormulaC27H17ClN4O2S
Molecular Weight496.98 g/mol
Exact Mass496.08
IUPAC Name(2E)-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-IAPNOVOESA-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 (2E)-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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Frequently Asked Questions

What is the IUPAC name of (2E)-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 (2E)-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 2466216) is (2E)-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 (2E)-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 (2E)-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 (2E)-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-IAPNOVOESA-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 (2E)-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?
(2E)-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 (2E)-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 2466216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).