2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol

C8H17N5OS — CID 80613868

IUPAC2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1nnc(NN)s1
InChIInChI=1S/C8H17N5OS/c1-2-3-13(4-5-14)6-7-11-12-8(10-9)15-7/h14H,2-6,9H2,1H3,(H,10,12)
InChIKeyGWXLCBUDGKXWEF-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.03
Rot. Bonds7

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

2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol (PubChem CID 80613868) has the molecular formula C8H17N5OS and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol
PubChem CID80613868
Molecular FormulaC8H17N5OS
Molecular Weight231.32 g/mol
Exact Mass231.12
IUPAC Name2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1nnc(NN)s1
InChIInChI=1S/C8H17N5OS/c1-2-3-13(4-5-14)6-7-11-12-8(10-9)15-7/h14H,2-6,9H2,1H3,(H,10,12)
InChIKeyGWXLCBUDGKXWEF-UHFFFAOYSA-N
XLogP0.03
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.03
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-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol (CID 80613868) is 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol is CCCN(CCO)Cc1nnc(NN)s1.
What is the InChIKey of 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol?
The InChIKey is GWXLCBUDGKXWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5OS/c1-2-3-13(4-5-14)6-7-11-12-8(10-9)15-7/h14H,2-6,9H2,1H3,(H,10,12).
What are the key properties of 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol?
2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol has a molecular weight of 231.32 g/mol, XLogP of 0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-propylamino]ethanol is sourced from PubChem (CID 80613868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).