3-hydrazinyl-3-oxo-N-(1,3-thiazol-2-yl)propanamide

C6H8N4O2S — CID 3649290

IUPAC3-hydrazinyl-3-oxo-N-(1,3-thiazol-2-yl)propanamide
SMILESNNC(=O)CC(=O)Nc1nccs1
InChIInChI=1S/C6H8N4O2S/c7-10-5(12)3-4(11)9-6-8-1-2-13-6/h1-2H,3,7H2,(H,10,12)(H,8,9,11)
InChIKeyRYTXVTGXANVUCB-UHFFFAOYSA-N
MW200.22 g/mol
LogP-0.54
Rot. Bonds3

About 3-hydrazinyl-3-oxo-N-(1,3-thiazol-2-yl)propanamide

3-hydrazinyl-3-oxo-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 3649290) has the molecular formula C6H8N4O2S and a molecular weight of 200.22 g/mol. Its IUPAC name is 3-hydrazinyl-3-oxo-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-hydrazinyl-3-oxo-N-(1,3-thiazol-2-yl)propanamide
PubChem CID3649290
Molecular FormulaC6H8N4O2S
Molecular Weight200.22 g/mol
Exact Mass200.04
IUPAC Name3-hydrazinyl-3-oxo-N-(1,3-thiazol-2-yl)propanamide
SMILESNNC(=O)CC(=O)Nc1nccs1
InChIInChI=1S/C6H8N4O2S/c7-10-5(12)3-4(11)9-6-8-1-2-13-6/h1-2H,3,7H2,(H,10,12)(H,8,9,11)
InChIKeyRYTXVTGXANVUCB-UHFFFAOYSA-N
XLogP-0.54
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Oxo-N-2-thiazolylbutanamide
CID 12811
2-cyano-N-(1,3-thiazol-2-yl)acetamide
CID 693166
2-((3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)thio)-N-(thiazol-2-yl)acetamide
CID 15944860
2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(thiazol-2-yl)acetamide
CID 7196830
Hydrazinecarbodithionic acid potassium salt
CID 25270298
2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 135473895
N-(1,3-Thiazol-2-yl)propanamide
CID 247650
Butanoic acid, 4-oxo-4-(2-thiazolylamino)-, 2-(1-oxobutyl)hydrazide
CID 3079249
Butanoic acid, 4-oxo-4-(2-thiazolylamino)-, hydrazide
CID 3087144
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 4328368
2-hydrazino-2-oxo-N-1,3-thiazol-2-ylacetamide
CID 358749
2-{[(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]thio}-N-1,3-thiazol-2-ylpropanamide
CID 135414663

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-3-oxo-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-hydrazinyl-3-oxo-N-(1,3-thiazol-2-yl)propanamide (CID 3649290) is 3-hydrazinyl-3-oxo-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-hydrazinyl-3-oxo-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-hydrazinyl-3-oxo-N-(1,3-thiazol-2-yl)propanamide is NNC(=O)CC(=O)Nc1nccs1.
What is the InChIKey of 3-hydrazinyl-3-oxo-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is RYTXVTGXANVUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2S/c7-10-5(12)3-4(11)9-6-8-1-2-13-6/h1-2H,3,7H2,(H,10,12)(H,8,9,11).
What are the key properties of 3-hydrazinyl-3-oxo-N-(1,3-thiazol-2-yl)propanamide?
3-hydrazinyl-3-oxo-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 200.22 g/mol, XLogP of -0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-3-oxo-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 3649290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).