(2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide

C23H24F5N7O3S — CID 58795889

IUPAC(2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCn1c(=O)/c(=C\Nc2cccc(NC(=O)CN3CCC(F)(F)CC3)n2)s/c1=C(/C#N)C(=O)NCC(F)(F)F
InChIInChI=1S/C23H24F5N7O3S/c1-2-35-20(38)15(39-21(35)14(10-29)19(37)31-13-23(26,27)28)11-30-16-4-3-5-17(32-16)33-18(36)12-34-8-6-22(24,25)7-9-34/h3-5,11H,2,6-9,12-13H2,1H3,(H,31,37)(H2,30,32,33,36)/b15-11+,21-14-
InChIKeyLOMJGWONRVPYTR-GABASWGZSA-N
MW573.55 g/mol
LogP1.20
Rot. Bonds8

About (2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide

(2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 58795889) has the molecular formula C23H24F5N7O3S and a molecular weight of 573.55 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID58795889
Molecular FormulaC23H24F5N7O3S
Molecular Weight573.55 g/mol
Exact Mass573.16
IUPAC Name(2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCn1c(=O)/c(=C\Nc2cccc(NC(=O)CN3CCC(F)(F)CC3)n2)s/c1=C(/C#N)C(=O)NCC(F)(F)F
InChIInChI=1S/C23H24F5N7O3S/c1-2-35-20(38)15(39-21(35)14(10-29)19(37)31-13-23(26,27)28)11-30-16-4-3-5-17(32-16)33-18(36)12-34-8-6-22(24,25)7-9-34/h3-5,11H,2,6-9,12-13H2,1H3,(H,31,37)(H2,30,32,33,36)/b15-11+,21-14-
InChIKeyLOMJGWONRVPYTR-GABASWGZSA-N
XLogP1.20
TPSA132.15 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.55
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of (2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (CID 58795889) is (2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for (2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for (2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is CCn1c(=O)/c(=C\Nc2cccc(NC(=O)CN3CCC(F)(F)CC3)n2)s/c1=C(/C#N)C(=O)NCC(F)(F)F.
What is the InChIKey of (2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LOMJGWONRVPYTR-GABASWGZSA-N. The full InChI is InChI=1S/C23H24F5N7O3S/c1-2-35-20(38)15(39-21(35)14(10-29)19(37)31-13-23(26,27)28)11-30-16-4-3-5-17(32-16)33-18(36)12-34-8-6-22(24,25)7-9-34/h3-5,11H,2,6-9,12-13H2,1H3,(H,31,37)(H2,30,32,33,36)/b15-11+,21-14-.
What are the key properties of (2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?
(2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 573.55 g/mol, XLogP of 1.20, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 58795889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).