2-methyl-N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]benzohydrazide

C16H19N3O3S2 — CID 9220858

IUPAC2-methyl-N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)CCCCN1C(=O)CSC1=S
InChIInChI=1S/C16H19N3O3S2/c1-11-6-2-3-7-12(11)15(22)18-17-13(20)8-4-5-9-19-14(21)10-24-16(19)23/h2-3,6-7H,4-5,8-10H2,1H3,(H,17,20)(H,18,22)
InChIKeyHSKMEOYDSZYXDT-UHFFFAOYSA-N
MW365.48 g/mol
LogP1.79
Rot. Bonds6

About 2-methyl-N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]benzohydrazide

2-methyl-N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]benzohydrazide (PubChem CID 9220858) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-methyl-N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]benzohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]benzohydrazide
PubChem CID9220858
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC Name2-methyl-N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)CCCCN1C(=O)CSC1=S
InChIInChI=1S/C16H19N3O3S2/c1-11-6-2-3-7-12(11)15(22)18-17-13(20)8-4-5-9-19-14(21)10-24-16(19)23/h2-3,6-7H,4-5,8-10H2,1H3,(H,17,20)(H,18,22)
InChIKeyHSKMEOYDSZYXDT-UHFFFAOYSA-N
XLogP1.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]pyridine-2-carbohydrazide
CID 9332113
4-fluoro-N'-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoyl]benzohydrazide
CID 9340752
5-chloro-2-methoxy-N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]benzohydrazide
CID 9472330
N-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
CID 9411691
N'-[2-(2-fluorophenoxy)acetyl]-6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanehydrazide
CID 9471930
6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[(1S)-1-phenylethyl]hexanamide
CID 9315278
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanehydrazide
CID 9159820
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
CID 9437755
N'-[2-(1-adamantyl)acetyl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanehydrazide
CID 9475103
methyl 4-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoylamino]benzoate
CID 9413559
2-bromo-N'-[6-[5-[3-[6-[2-(2-bromobenzoyl)hydrazinyl]-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide
CID 4756557

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]benzohydrazide?
The IUPAC name of 2-methyl-N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]benzohydrazide (CID 9220858) is 2-methyl-N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]benzohydrazide.
What is the SMILES notation for 2-methyl-N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]benzohydrazide?
The canonical SMILES for 2-methyl-N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]benzohydrazide is Cc1ccccc1C(=O)NNC(=O)CCCCN1C(=O)CSC1=S.
What is the InChIKey of 2-methyl-N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]benzohydrazide?
The InChIKey is HSKMEOYDSZYXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-11-6-2-3-7-12(11)15(22)18-17-13(20)8-4-5-9-19-14(21)10-24-16(19)23/h2-3,6-7H,4-5,8-10H2,1H3,(H,17,20)(H,18,22).
What are the key properties of 2-methyl-N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]benzohydrazide?
2-methyl-N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]benzohydrazide has a molecular weight of 365.48 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]benzohydrazide is sourced from PubChem (CID 9220858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).