2-hydroxy-3-(1,2,5-thiadiazol-3-yl)propanal

C5H6N2O2S — CID 130815190

IUPAC2-hydroxy-3-(1,2,5-thiadiazol-3-yl)propanal
SMILESO=CC(O)Cc1cnsn1
InChIInChI=1S/C5H6N2O2S/c8-3-5(9)1-4-2-6-10-7-4/h2-3,5,9H,1H2
InChIKeyMAVVMBBFXQPSOM-UHFFFAOYSA-N
MW158.18 g/mol
LogP-0.36
Rot. Bonds3

About 2-hydroxy-3-(1,2,5-thiadiazol-3-yl)propanal

2-hydroxy-3-(1,2,5-thiadiazol-3-yl)propanal (PubChem CID 130815190) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-hydroxy-3-(1,2,5-thiadiazol-3-yl)propanal.

Molecular Properties

Compound Name2-hydroxy-3-(1,2,5-thiadiazol-3-yl)propanal
PubChem CID130815190
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Name2-hydroxy-3-(1,2,5-thiadiazol-3-yl)propanal
SMILESO=CC(O)Cc1cnsn1
InChIInChI=1S/C5H6N2O2S/c8-3-5(9)1-4-2-6-10-7-4/h2-3,5,9H,1H2
InChIKeyMAVVMBBFXQPSOM-UHFFFAOYSA-N
XLogP-0.36
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-(1,2,5-thiadiazol-3-yl)ethanol
CID 131219601
2-(1,2,5-thiadiazol-3-ylmethyl)butan-1-ol
CID 131227000
N-methyl-1-(1,2,5-thiadiazol-3-yl)butan-2-amine
CID 131227008
3-(5-bromo-2-pyridinyl)-2-hydroxypropanal
CID 104802202
(E)-N-(1,2,5-thiadiazol-3-ylmethyl)but-2-en-1-amine
CID 131248615
1-(5-chlorofuran-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol
CID 130815155
1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-amine
CID 131227529
2-(1,2,5-thiadiazol-3-yl)-1-(thiolan-3-yl)ethanol
CID 130815238
1,2,5-thiadiazol-3-ylmethanesulfonamide
CID 131223688
N-(1,2,5-thiadiazol-3-ylmethyl)but-2-yn-1-amine
CID 130815395
3-amino-3-methyl-1-(1,2,5-thiadiazol-3-yl)butan-2-one
CID 130855853
3-hydroxy-3-methyl-1-(1,2,5-thiadiazol-3-yl)butan-2-one
CID 130961348

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(1,2,5-thiadiazol-3-yl)propanal?
The IUPAC name of 2-hydroxy-3-(1,2,5-thiadiazol-3-yl)propanal (CID 130815190) is 2-hydroxy-3-(1,2,5-thiadiazol-3-yl)propanal.
What is the SMILES notation for 2-hydroxy-3-(1,2,5-thiadiazol-3-yl)propanal?
The canonical SMILES for 2-hydroxy-3-(1,2,5-thiadiazol-3-yl)propanal is O=CC(O)Cc1cnsn1.
What is the InChIKey of 2-hydroxy-3-(1,2,5-thiadiazol-3-yl)propanal?
The InChIKey is MAVVMBBFXQPSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c8-3-5(9)1-4-2-6-10-7-4/h2-3,5,9H,1H2.
What are the key properties of 2-hydroxy-3-(1,2,5-thiadiazol-3-yl)propanal?
2-hydroxy-3-(1,2,5-thiadiazol-3-yl)propanal has a molecular weight of 158.18 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(1,2,5-thiadiazol-3-yl)propanal is sourced from PubChem (CID 130815190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).