(5-amino-1,2,4-thiadiazol-3-yl)methanol

C3H5N3OS — CID 83872226

IUPAC(5-amino-1,2,4-thiadiazol-3-yl)methanol
SMILESNc1nc(CO)ns1
InChIInChI=1S/C3H5N3OS/c4-3-5-2(1-7)6-8-3/h7H,1H2,(H2,4,5,6)
InChIKeyQZNSBMQBDNBRKA-UHFFFAOYSA-N
MW131.16 g/mol
LogP-0.39
Rot. Bonds1

About (5-amino-1,2,4-thiadiazol-3-yl)methanol

(5-amino-1,2,4-thiadiazol-3-yl)methanol (PubChem CID 83872226) has the molecular formula C3H5N3OS and a molecular weight of 131.16 g/mol. Its IUPAC name is (5-amino-1,2,4-thiadiazol-3-yl)methanol.

Molecular Properties

Compound Name(5-amino-1,2,4-thiadiazol-3-yl)methanol
PubChem CID83872226
Molecular FormulaC3H5N3OS
Molecular Weight131.16 g/mol
Exact Mass131.02
IUPAC Name(5-amino-1,2,4-thiadiazol-3-yl)methanol
SMILESNc1nc(CO)ns1
InChIInChI=1S/C3H5N3OS/c4-3-5-2(1-7)6-8-3/h7H,1H2,(H2,4,5,6)
InChIKeyQZNSBMQBDNBRKA-UHFFFAOYSA-N
XLogP-0.39
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1,2,4-thiadiazol-3-yl)methanol?
The IUPAC name of (5-amino-1,2,4-thiadiazol-3-yl)methanol (CID 83872226) is (5-amino-1,2,4-thiadiazol-3-yl)methanol.
What is the SMILES notation for (5-amino-1,2,4-thiadiazol-3-yl)methanol?
The canonical SMILES for (5-amino-1,2,4-thiadiazol-3-yl)methanol is Nc1nc(CO)ns1.
What is the InChIKey of (5-amino-1,2,4-thiadiazol-3-yl)methanol?
The InChIKey is QZNSBMQBDNBRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3OS/c4-3-5-2(1-7)6-8-3/h7H,1H2,(H2,4,5,6).
What are the key properties of (5-amino-1,2,4-thiadiazol-3-yl)methanol?
(5-amino-1,2,4-thiadiazol-3-yl)methanol has a molecular weight of 131.16 g/mol, XLogP of -0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,2,4-thiadiazol-3-yl)methanol is sourced from PubChem (CID 83872226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).