2-[ethyl-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]amino]-N,N-dimethylacetamide

C9H18N6OS — CID 80614280

IUPAC2-[ethyl-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)Cc1nnc(NN)s1
InChIInChI=1S/C9H18N6OS/c1-4-15(6-8(16)14(2)3)5-7-12-13-9(11-10)17-7/h4-6,10H2,1-3H3,(H,11,13)
InChIKeyOSNPDQUGPOAHPS-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.27
Rot. Bonds6

About 2-[ethyl-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]amino]-N,N-dimethylacetamide

2-[ethyl-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]amino]-N,N-dimethylacetamide (PubChem CID 80614280) has the molecular formula C9H18N6OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[ethyl-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethyl-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]amino]-N,N-dimethylacetamide
PubChem CID80614280
Molecular FormulaC9H18N6OS
Molecular Weight258.35 g/mol
Exact Mass258.13
IUPAC Name2-[ethyl-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)Cc1nnc(NN)s1
InChIInChI=1S/C9H18N6OS/c1-4-15(6-8(16)14(2)3)5-7-12-13-9(11-10)17-7/h4-6,10H2,1-3H3,(H,11,13)
InChIKeyOSNPDQUGPOAHPS-UHFFFAOYSA-N
XLogP-0.27
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
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-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[ethyl-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]amino]-N,N-dimethylacetamide (CID 80614280) is 2-[ethyl-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethyl-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethyl-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]amino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)Cc1nnc(NN)s1.
What is the InChIKey of 2-[ethyl-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]amino]-N,N-dimethylacetamide?
The InChIKey is OSNPDQUGPOAHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6OS/c1-4-15(6-8(16)14(2)3)5-7-12-13-9(11-10)17-7/h4-6,10H2,1-3H3,(H,11,13).
What are the key properties of 2-[ethyl-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]amino]-N,N-dimethylacetamide?
2-[ethyl-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]amino]-N,N-dimethylacetamide has a molecular weight of 258.35 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 80614280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).