3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-4-methyl-1,3-thiazol-2-one

C7H9N5OS2 — CID 80614789

IUPAC3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1Cc1nnc(NN)s1
InChIInChI=1S/C7H9N5OS2/c1-4-3-14-7(13)12(4)2-5-10-11-6(9-8)15-5/h3H,2,8H2,1H3,(H,9,11)
InChIKeyCEBLSLYWMXFZEH-UHFFFAOYSA-N
MW243.32 g/mol
LogP0.40
Rot. Bonds3

About 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-4-methyl-1,3-thiazol-2-one

3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 80614789) has the molecular formula C7H9N5OS2 and a molecular weight of 243.32 g/mol. Its IUPAC name is 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-4-methyl-1,3-thiazol-2-one
PubChem CID80614789
Molecular FormulaC7H9N5OS2
Molecular Weight243.32 g/mol
Exact Mass243.02
IUPAC Name3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1Cc1nnc(NN)s1
InChIInChI=1S/C7H9N5OS2/c1-4-3-14-7(13)12(4)2-5-10-11-6(9-8)15-5/h3H,2,8H2,1H3,(H,9,11)
InChIKeyCEBLSLYWMXFZEH-UHFFFAOYSA-N
XLogP0.40
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-one
CID 79764145
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9192625
3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one
CID 80656727
2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]isoindole-1,3-dione
CID 80613793
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide
CID 43287094
4-tert-butyl-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-one
CID 104512795
6-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one
CID 80608186
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 80613383
3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-one
CID 62209726
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 60669041
4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperazin-2-one
CID 80613588
[5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614764

Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-4-methyl-1,3-thiazol-2-one (CID 80614789) is 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1Cc1nnc(NN)s1.
What is the InChIKey of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is CEBLSLYWMXFZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5OS2/c1-4-3-14-7(13)12(4)2-5-10-11-6(9-8)15-5/h3H,2,8H2,1H3,(H,9,11).
What are the key properties of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-4-methyl-1,3-thiazol-2-one?
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 243.32 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 80614789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).