2-(thiadiazol-4-ylmethylamino)ethanol

C5H9N3OS — CID 43664113

IUPAC2-(thiadiazol-4-ylmethylamino)ethanol
SMILESOCCNCc1csnn1
InChIInChI=1S/C5H9N3OS/c9-2-1-6-3-5-4-10-8-7-5/h4,6,9H,1-3H2
InChIKeyZINBFJODBTYNDE-UHFFFAOYSA-N
MW159.21 g/mol
LogP-0.38
Rot. Bonds4

About 2-(thiadiazol-4-ylmethylamino)ethanol

2-(thiadiazol-4-ylmethylamino)ethanol (PubChem CID 43664113) has the molecular formula C5H9N3OS and a molecular weight of 159.21 g/mol. Its IUPAC name is 2-(thiadiazol-4-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(thiadiazol-4-ylmethylamino)ethanol
PubChem CID43664113
Molecular FormulaC5H9N3OS
Molecular Weight159.21 g/mol
Exact Mass159.05
IUPAC Name2-(thiadiazol-4-ylmethylamino)ethanol
SMILESOCCNCc1csnn1
InChIInChI=1S/C5H9N3OS/c9-2-1-6-3-5-4-10-8-7-5/h4,6,9H,1-3H2
InChIKeyZINBFJODBTYNDE-UHFFFAOYSA-N
XLogP-0.38
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(thiadiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63828537
2-(2,2-difluoroethoxy)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 103083073
1,1-Difluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol
CID 103923463
2,2-Difluoro-3-(thiadiazol-4-ylmethylamino)propan-1-ol
CID 104862620
1,1,1-Trifluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol
CID 115904995
3-fluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 115908278
N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663782
N'-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
CID 60888547
2-[Hydroxymethyl(thiadiazol-4-ylmethyl)amino]ethanol
CID 155019210
Propyl[(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663780
N-(thiadiazol-4-ylmethyl)prop-2-en-1-amine
CID 43663785
N-(thiadiazol-4-ylmethyl)propan-2-amine
CID 43663794

Frequently Asked Questions

What is the IUPAC name of 2-(thiadiazol-4-ylmethylamino)ethanol?
The IUPAC name of 2-(thiadiazol-4-ylmethylamino)ethanol (CID 43664113) is 2-(thiadiazol-4-ylmethylamino)ethanol.
What is the SMILES notation for 2-(thiadiazol-4-ylmethylamino)ethanol?
The canonical SMILES for 2-(thiadiazol-4-ylmethylamino)ethanol is OCCNCc1csnn1.
What is the InChIKey of 2-(thiadiazol-4-ylmethylamino)ethanol?
The InChIKey is ZINBFJODBTYNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3OS/c9-2-1-6-3-5-4-10-8-7-5/h4,6,9H,1-3H2.
What are the key properties of 2-(thiadiazol-4-ylmethylamino)ethanol?
2-(thiadiazol-4-ylmethylamino)ethanol has a molecular weight of 159.21 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiadiazol-4-ylmethylamino)ethanol is sourced from PubChem (CID 43664113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).