(2R)-3-acetyl-N',N'-bis(1-benzothiophene-2-carbonyl)-1,3-thiazolidine-2-carbohydrazide

C24H19N3O4S3 — CID 97292840

IUPAC(2R)-3-acetyl-N',N'-bis(1-benzothiophene-2-carbonyl)-1,3-thiazolidine-2-carbohydrazide
SMILESCC(=O)N1CCS[C@@H]1C(=O)NN(C(=O)c1cc2ccccc2s1)C(=O)c1cc2ccccc2s1
InChIInChI=1S/C24H19N3O4S3/c1-14(28)26-10-11-32-24(26)21(29)25-27(22(30)19-12-15-6-2-4-8-17(15)33-19)23(31)20-13-16-7-3-5-9-18(16)34-20/h2-9,12-13,24H,10-11H2,1H3,(H,25,29)/t24-/m1/s1
InChIKeySUBVCYYTAVJPFA-XMMPIXPASA-N
MW509.63 g/mol
LogP4.35
Rot. Bonds3

About (2R)-3-acetyl-N',N'-bis(1-benzothiophene-2-carbonyl)-1,3-thiazolidine-2-carbohydrazide

(2R)-3-acetyl-N',N'-bis(1-benzothiophene-2-carbonyl)-1,3-thiazolidine-2-carbohydrazide (PubChem CID 97292840) has the molecular formula C24H19N3O4S3 and a molecular weight of 509.63 g/mol. Its IUPAC name is (2R)-3-acetyl-N',N'-bis(1-benzothiophene-2-carbonyl)-1,3-thiazolidine-2-carbohydrazide.

Molecular Properties

Compound Name(2R)-3-acetyl-N',N'-bis(1-benzothiophene-2-carbonyl)-1,3-thiazolidine-2-carbohydrazide
PubChem CID97292840
Molecular FormulaC24H19N3O4S3
Molecular Weight509.63 g/mol
Exact Mass509.05
IUPAC Name(2R)-3-acetyl-N',N'-bis(1-benzothiophene-2-carbonyl)-1,3-thiazolidine-2-carbohydrazide
SMILESCC(=O)N1CCS[C@@H]1C(=O)NN(C(=O)c1cc2ccccc2s1)C(=O)c1cc2ccccc2s1
InChIInChI=1S/C24H19N3O4S3/c1-14(28)26-10-11-32-24(26)21(29)25-27(22(30)19-12-15-6-2-4-8-17(15)33-19)23(31)20-13-16-7-3-5-9-18(16)34-20/h2-9,12-13,24H,10-11H2,1H3,(H,25,29)/t24-/m1/s1
InChIKeySUBVCYYTAVJPFA-XMMPIXPASA-N
XLogP4.35
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.63
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 166633564
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide
CID 51195728
2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide
CID 56930780
N-[[4-[(E)-3-oxo-3-(2-propylhydrazinyl)prop-1-enyl]phenyl]methyl]-N-propyl-1-benzothiophene-2-carboxamide
CID 177379316
N-benzyl-N-[[4-[(E)-3-oxo-3-(2-propylhydrazinyl)prop-1-enyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 177379317
N-benzyl-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 177379321
N-propyl-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 177379322
3-acetyl-N',N'-bis(1-benzothiophene-2-carbonyl)-1,3-thiazolidine-2-carbohydrazide
CID 2815840
N-[(2S)-1-[[1-[(4-fluorophenyl)methyl]pyrrolidin-1-ium-1-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
CID 57295338
N'-[2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide
CID 24448454
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 24539189
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-benzothiophene-2-carboxamide
CID 27845530

Frequently Asked Questions

What is the IUPAC name of (2R)-3-acetyl-N',N'-bis(1-benzothiophene-2-carbonyl)-1,3-thiazolidine-2-carbohydrazide?
The IUPAC name of (2R)-3-acetyl-N',N'-bis(1-benzothiophene-2-carbonyl)-1,3-thiazolidine-2-carbohydrazide (CID 97292840) is (2R)-3-acetyl-N',N'-bis(1-benzothiophene-2-carbonyl)-1,3-thiazolidine-2-carbohydrazide.
What is the SMILES notation for (2R)-3-acetyl-N',N'-bis(1-benzothiophene-2-carbonyl)-1,3-thiazolidine-2-carbohydrazide?
The canonical SMILES for (2R)-3-acetyl-N',N'-bis(1-benzothiophene-2-carbonyl)-1,3-thiazolidine-2-carbohydrazide is CC(=O)N1CCS[C@@H]1C(=O)NN(C(=O)c1cc2ccccc2s1)C(=O)c1cc2ccccc2s1.
What is the InChIKey of (2R)-3-acetyl-N',N'-bis(1-benzothiophene-2-carbonyl)-1,3-thiazolidine-2-carbohydrazide?
The InChIKey is SUBVCYYTAVJPFA-XMMPIXPASA-N. The full InChI is InChI=1S/C24H19N3O4S3/c1-14(28)26-10-11-32-24(26)21(29)25-27(22(30)19-12-15-6-2-4-8-17(15)33-19)23(31)20-13-16-7-3-5-9-18(16)34-20/h2-9,12-13,24H,10-11H2,1H3,(H,25,29)/t24-/m1/s1.
What are the key properties of (2R)-3-acetyl-N',N'-bis(1-benzothiophene-2-carbonyl)-1,3-thiazolidine-2-carbohydrazide?
(2R)-3-acetyl-N',N'-bis(1-benzothiophene-2-carbonyl)-1,3-thiazolidine-2-carbohydrazide has a molecular weight of 509.63 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-acetyl-N',N'-bis(1-benzothiophene-2-carbonyl)-1,3-thiazolidine-2-carbohydrazide is sourced from PubChem (CID 97292840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).