2-[hydroxymethyl(thiadiazol-4-ylmethyl)amino]ethanol

C6H11N3O2S — CID 155019210

IUPAC2-[hydroxymethyl(thiadiazol-4-ylmethyl)amino]ethanol
SMILESOCCN(CO)Cc1csnn1
InChIInChI=1S/C6H11N3O2S/c10-2-1-9(5-11)3-6-4-12-8-7-6/h4,10-11H,1-3,5H2
InChIKeyPFBKLTMJNVFHTE-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.72
Rot. Bonds5

About 2-[hydroxymethyl(thiadiazol-4-ylmethyl)amino]ethanol

2-[hydroxymethyl(thiadiazol-4-ylmethyl)amino]ethanol (PubChem CID 155019210) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is 2-[hydroxymethyl(thiadiazol-4-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[hydroxymethyl(thiadiazol-4-ylmethyl)amino]ethanol
PubChem CID155019210
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name2-[hydroxymethyl(thiadiazol-4-ylmethyl)amino]ethanol
SMILESOCCN(CO)Cc1csnn1
InChIInChI=1S/C6H11N3O2S/c10-2-1-9(5-11)3-6-4-12-8-7-6/h4,10-11H,1-3,5H2
InChIKeyPFBKLTMJNVFHTE-UHFFFAOYSA-N
XLogP-0.72
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxymethyl(thiadiazol-4-ylmethyl)amino]ethanol?
The IUPAC name of 2-[hydroxymethyl(thiadiazol-4-ylmethyl)amino]ethanol (CID 155019210) is 2-[hydroxymethyl(thiadiazol-4-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[hydroxymethyl(thiadiazol-4-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[hydroxymethyl(thiadiazol-4-ylmethyl)amino]ethanol is OCCN(CO)Cc1csnn1.
What is the InChIKey of 2-[hydroxymethyl(thiadiazol-4-ylmethyl)amino]ethanol?
The InChIKey is PFBKLTMJNVFHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c10-2-1-9(5-11)3-6-4-12-8-7-6/h4,10-11H,1-3,5H2.
What are the key properties of 2-[hydroxymethyl(thiadiazol-4-ylmethyl)amino]ethanol?
2-[hydroxymethyl(thiadiazol-4-ylmethyl)amino]ethanol has a molecular weight of 189.24 g/mol, XLogP of -0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxymethyl(thiadiazol-4-ylmethyl)amino]ethanol is sourced from PubChem (CID 155019210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).