N-(2-acetylphenyl)-2-[(2Z)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide

C24H21N3O3S2 — CID 2080713

IUPACN-(2-acetylphenyl)-2-[(2Z)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1C(=O)CS/C1=C\c1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C24H21N3O3S2/c1-15-7-9-17(10-8-15)20-13-31-22(26-20)11-24-27(23(30)14-32-24)12-21(29)25-19-6-4-3-5-18(19)16(2)28/h3-11,13H,12,14H2,1-2H3,(H,25,29)/b24-11-
InChIKeyZRLDFCJTDDVRNY-MYKKPKGFSA-N
MW463.58 g/mol
LogP4.83
Rot. Bonds6

About N-(2-acetylphenyl)-2-[(2Z)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide

N-(2-acetylphenyl)-2-[(2Z)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 2080713) has the molecular formula C24H21N3O3S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[(2Z)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[(2Z)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID2080713
Molecular FormulaC24H21N3O3S2
Molecular Weight463.58 g/mol
Exact Mass463.10
IUPAC NameN-(2-acetylphenyl)-2-[(2Z)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1C(=O)CS/C1=C\c1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C24H21N3O3S2/c1-15-7-9-17(10-8-15)20-13-31-22(26-20)11-24-27(23(30)14-32-24)12-21(29)25-19-6-4-3-5-18(19)16(2)28/h3-11,13H,12,14H2,1-2H3,(H,25,29)/b24-11-
InChIKeyZRLDFCJTDDVRNY-MYKKPKGFSA-N
XLogP4.83
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[(2Z)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[(2Z)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide (CID 2080713) is N-(2-acetylphenyl)-2-[(2Z)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[(2Z)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[(2Z)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide is CC(=O)c1ccccc1NC(=O)CN1C(=O)CS/C1=C\c1nc(-c2ccc(C)cc2)cs1.
What is the InChIKey of N-(2-acetylphenyl)-2-[(2Z)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is ZRLDFCJTDDVRNY-MYKKPKGFSA-N. The full InChI is InChI=1S/C24H21N3O3S2/c1-15-7-9-17(10-8-15)20-13-31-22(26-20)11-24-27(23(30)14-32-24)12-21(29)25-19-6-4-3-5-18(19)16(2)28/h3-11,13H,12,14H2,1-2H3,(H,25,29)/b24-11-.
What are the key properties of N-(2-acetylphenyl)-2-[(2Z)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?
N-(2-acetylphenyl)-2-[(2Z)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 463.58 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[(2Z)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 2080713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).