2-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]-N-methylacetamide

C8H16N6OS — CID 62246445

IUPAC2-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]-N-methylacetamide
SMILESCCN(CC(=O)NC)Cc1nnsc1NN
InChIInChI=1S/C8H16N6OS/c1-3-14(5-7(15)10-2)4-6-8(11-9)16-13-12-6/h11H,3-5,9H2,1-2H3,(H,10,15)
InChIKeyTVQFAJQLWKXHCZ-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.61
Rot. Bonds6

About 2-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]-N-methylacetamide

2-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]-N-methylacetamide (PubChem CID 62246445) has the molecular formula C8H16N6OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]-N-methylacetamide
PubChem CID62246445
Molecular FormulaC8H16N6OS
Molecular Weight244.32 g/mol
Exact Mass244.11
IUPAC Name2-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]-N-methylacetamide
SMILESCCN(CC(=O)NC)Cc1nnsc1NN
InChIInChI=1S/C8H16N6OS/c1-3-14(5-7(15)10-2)4-6-8(11-9)16-13-12-6/h11H,3-5,9H2,1-2H3,(H,10,15)
InChIKeyTVQFAJQLWKXHCZ-UHFFFAOYSA-N
XLogP-0.61
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]-N-methylacetamide?
The IUPAC name of 2-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]-N-methylacetamide (CID 62246445) is 2-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]-N-methylacetamide is CCN(CC(=O)NC)Cc1nnsc1NN.
What is the InChIKey of 2-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]-N-methylacetamide?
The InChIKey is TVQFAJQLWKXHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6OS/c1-3-14(5-7(15)10-2)4-6-8(11-9)16-13-12-6/h11H,3-5,9H2,1-2H3,(H,10,15).
What are the key properties of 2-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]-N-methylacetamide?
2-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]-N-methylacetamide has a molecular weight of 244.32 g/mol, XLogP of -0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]-N-methylacetamide is sourced from PubChem (CID 62246445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).