N'-[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]benzohydrazide

C12H11N3O4S — CID 27350767

IUPACN'-[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]benzohydrazide
SMILESO=C(C[C@H]1SC(=O)NC1=O)NNC(=O)c1ccccc1
InChIInChI=1S/C12H11N3O4S/c16-9(6-8-11(18)13-12(19)20-8)14-15-10(17)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,14,16)(H,15,17)(H,13,18,19)/t8-/m1/s1
InChIKeyHGFSOLUXTOLUGK-MRVPVSSYSA-N
MW293.30 g/mol
LogP0.19
Rot. Bonds3

About N'-[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]benzohydrazide

N'-[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]benzohydrazide (PubChem CID 27350767) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is N'-[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]benzohydrazide
PubChem CID27350767
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC NameN'-[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]benzohydrazide
SMILESO=C(C[C@H]1SC(=O)NC1=O)NNC(=O)c1ccccc1
InChIInChI=1S/C12H11N3O4S/c16-9(6-8-11(18)13-12(19)20-8)14-15-10(17)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,14,16)(H,15,17)(H,13,18,19)/t8-/m1/s1
InChIKeyHGFSOLUXTOLUGK-MRVPVSSYSA-N
XLogP0.19
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-phenacyl-1,3-thiazolidine-2,4-dione
CID 7013183
N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
CID 1352347
2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyphenyl)acetamide
CID 1213000
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide
CID 2135569
N'-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]-3,5-bis(trifluoromethyl)benzohydrazide
CID 2820248
2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxyphenyl)acetamide
CID 7066089
N'-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 24634893
N'-[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]propanehydrazide
CID 770317
2-[[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]amino]-5-hydroxybenzoic acid
CID 4970447
4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
CID 6982475
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 8949636
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 2888220

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]benzohydrazide (CID 27350767) is N'-[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]benzohydrazide is O=C(C[C@H]1SC(=O)NC1=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]benzohydrazide?
The InChIKey is HGFSOLUXTOLUGK-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c16-9(6-8-11(18)13-12(19)20-8)14-15-10(17)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,14,16)(H,15,17)(H,13,18,19)/t8-/m1/s1.
What are the key properties of N'-[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]benzohydrazide?
N'-[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]benzohydrazide has a molecular weight of 293.30 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]benzohydrazide is sourced from PubChem (CID 27350767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).