(2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

C17H17N3O3S — CID 58794475

IUPAC(2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
SMILESCCNC(=O)/C(C#N)=c1\s/c(=C\c2ccc(O)cc2)c(=O)n1CC
InChIInChI=1S/C17H17N3O3S/c1-3-19-15(22)13(10-18)17-20(4-2)16(23)14(24-17)9-11-5-7-12(21)8-6-11/h5-9,21H,3-4H2,1-2H3,(H,19,22)/b14-9-,17-13-
InChIKeyZXFMKMUIRXXIIH-NHERBMIYSA-N
MW343.41 g/mol
LogP0.27
Rot. Bonds4

About (2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

(2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 58794475) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is (2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID58794475
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name(2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
SMILESCCNC(=O)/C(C#N)=c1\s/c(=C\c2ccc(O)cc2)c(=O)n1CC
InChIInChI=1S/C17H17N3O3S/c1-3-19-15(22)13(10-18)17-20(4-2)16(23)14(24-17)9-11-5-7-12(21)8-6-11/h5-9,21H,3-4H2,1-2H3,(H,19,22)/b14-9-,17-13-
InChIKeyZXFMKMUIRXXIIH-NHERBMIYSA-N
XLogP0.27
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of (2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (CID 58794475) is (2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for (2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for (2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is CCNC(=O)/C(C#N)=c1\s/c(=C\c2ccc(O)cc2)c(=O)n1CC.
What is the InChIKey of (2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is ZXFMKMUIRXXIIH-NHERBMIYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-3-19-15(22)13(10-18)17-20(4-2)16(23)14(24-17)9-11-5-7-12(21)8-6-11/h5-9,21H,3-4H2,1-2H3,(H,19,22)/b14-9-,17-13-.
What are the key properties of (2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
(2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 343.41 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 58794475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).