(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

C22H27N7O4S — CID 58795858

IUPAC(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
SMILESCCNC(=O)/C(C#N)=c1\s/c(=C/Nc2cccc(NC(=O)CN3CCOCC3)n2)c(=O)n1CC
InChIInChI=1S/C22H27N7O4S/c1-3-24-20(31)15(12-23)22-29(4-2)21(32)16(34-22)13-25-17-6-5-7-18(26-17)27-19(30)14-28-8-10-33-11-9-28/h5-7,13H,3-4,8-11,14H2,1-2H3,(H,24,31)(H2,25,26,27,30)/b16-13+,22-15-
InChIKeyXPXPGJIGESXQJG-WYRWKTMTSA-N
MW485.57 g/mol
LogP-0.74
Rot. Bonds8

About (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

(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 (PubChem CID 58795858) has the molecular formula C22H27N7O4S and a molecular weight of 485.57 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID58795858
Molecular FormulaC22H27N7O4S
Molecular Weight485.57 g/mol
Exact Mass485.18
IUPAC Name(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
SMILESCCNC(=O)/C(C#N)=c1\s/c(=C/Nc2cccc(NC(=O)CN3CCOCC3)n2)c(=O)n1CC
InChIInChI=1S/C22H27N7O4S/c1-3-24-20(31)15(12-23)22-29(4-2)21(32)16(34-22)13-25-17-6-5-7-18(26-17)27-19(30)14-28-8-10-33-11-9-28/h5-7,13H,3-4,8-11,14H2,1-2H3,(H,24,31)(H2,25,26,27,30)/b16-13+,22-15-
InChIKeyXPXPGJIGESXQJG-WYRWKTMTSA-N
XLogP-0.74
TPSA141.38 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCNC(=O)/C(C#N)=c1\s/c(=C/Nc2cccc(NC(=O)CN3CCOCC3)n2)c(=O)n1CC.
What is the InChIKey of (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?
The InChIKey is XPXPGJIGESXQJG-WYRWKTMTSA-N. The full InChI is InChI=1S/C22H27N7O4S/c1-3-24-20(31)15(12-23)22-29(4-2)21(32)16(34-22)13-25-17-6-5-7-18(26-17)27-19(30)14-28-8-10-33-11-9-28/h5-7,13H,3-4,8-11,14H2,1-2H3,(H,24,31)(H2,25,26,27,30)/b16-13+,22-15-.
What are the key properties of (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?
(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 has a molecular weight of 485.57 g/mol, XLogP of -0.74, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 58795858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).