3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-methylpropanamide

C8H16N6OS — CID 106918004

IUPAC3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)Cc1nnc(NN)s1
InChIInChI=1S/C8H16N6OS/c1-10-6(15)3-4-14(2)5-7-12-13-8(11-9)16-7/h3-5,9H2,1-2H3,(H,10,15)(H,11,13)
InChIKeyRFVNEPFKSRPIOF-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.61
Rot. Bonds6

About 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-methylpropanamide

3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-methylpropanamide (PubChem CID 106918004) has the molecular formula C8H16N6OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-methylpropanamide
PubChem CID106918004
Molecular FormulaC8H16N6OS
Molecular Weight244.32 g/mol
Exact Mass244.11
IUPAC Name3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)Cc1nnc(NN)s1
InChIInChI=1S/C8H16N6OS/c1-10-6(15)3-4-14(2)5-7-12-13-8(11-9)16-7/h3-5,9H2,1-2H3,(H,10,15)(H,11,13)
InChIKeyRFVNEPFKSRPIOF-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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Related Compounds

N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine
CID 80614289
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-methylacetamide
CID 80606572
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81073772
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-2-methylpropanenitrile
CID 80614579
2-[ethyl-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]amino]-N,N-dimethylacetamide
CID 80614280
3-[2-aminoethyl(methyl)amino]-N-methylpropanamide
CID 58105370
N,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine
CID 80608780
1-(4-bromothiophen-2-yl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine
CID 80613669
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 80614574
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112664455
2-ethoxy-N-(2-ethoxyethyl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 82952358
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylcyclohexanamine
CID 80613778

Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-methylpropanamide (CID 106918004) is 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)Cc1nnc(NN)s1.
What is the InChIKey of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-methylpropanamide?
The InChIKey is RFVNEPFKSRPIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6OS/c1-10-6(15)3-4-14(2)5-7-12-13-8(11-9)16-7/h3-5,9H2,1-2H3,(H,10,15)(H,11,13).
What are the key properties of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-methylpropanamide?
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-methylpropanamide 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 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106918004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).