2-[(2E)-2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide

C19H15FN4O2S2 — CID 6144536

IUPAC2-[(2E)-2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
SMILESCN1C(=O)C(CC(=O)Nc2ccc(F)cc2)S/C1=N/c1nc2ccccc2s1
InChIInChI=1S/C19H15FN4O2S2/c1-24-17(26)15(10-16(25)21-12-8-6-11(20)7-9-12)28-19(24)23-18-22-13-4-2-3-5-14(13)27-18/h2-9,15H,10H2,1H3,(H,21,25)/b23-19+
InChIKeyAXJLISADDRPJIU-FCDQGJHFSA-N
MW414.49 g/mol
LogP4.03
Rot. Bonds4

About 2-[(2E)-2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide

2-[(2E)-2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 6144536) has the molecular formula C19H15FN4O2S2 and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-[(2E)-2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2E)-2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
PubChem CID6144536
Molecular FormulaC19H15FN4O2S2
Molecular Weight414.49 g/mol
Exact Mass414.06
IUPAC Name2-[(2E)-2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
SMILESCN1C(=O)C(CC(=O)Nc2ccc(F)cc2)S/C1=N/c1nc2ccccc2s1
InChIInChI=1S/C19H15FN4O2S2/c1-24-17(26)15(10-16(25)21-12-8-6-11(20)7-9-12)28-19(24)23-18-22-13-4-2-3-5-14(13)27-18/h2-9,15H,10H2,1H3,(H,21,25)/b23-19+
InChIKeyAXJLISADDRPJIU-FCDQGJHFSA-N
XLogP4.03
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 3151574
N-(4-fluorophenyl)-2-[(5R)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 1280340
2-[2-(1,3-benzothiazol-2-ylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 3478098
N-(4-fluorophenyl)-2-[(5S)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7318124
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 17385719
2-[(5S)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 40719882
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 171982150
2-[(5R)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 28748444
2-[(5S)-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 28748456
N-(4-bromophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
CID 3269032
N-(4-methoxyphenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7299819
2-[2-(4-bromophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4984913

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(2E)-2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide (CID 6144536) is 2-[(2E)-2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(2E)-2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(2E)-2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide is CN1C(=O)C(CC(=O)Nc2ccc(F)cc2)S/C1=N/c1nc2ccccc2s1.
What is the InChIKey of 2-[(2E)-2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is AXJLISADDRPJIU-FCDQGJHFSA-N. The full InChI is InChI=1S/C19H15FN4O2S2/c1-24-17(26)15(10-16(25)21-12-8-6-11(20)7-9-12)28-19(24)23-18-22-13-4-2-3-5-14(13)27-18/h2-9,15H,10H2,1H3,(H,21,25)/b23-19+.
What are the key properties of 2-[(2E)-2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?
2-[(2E)-2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 414.49 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 6144536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).