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

C3H5N3OS — CID 91192192

IUPAC(3-amino-1,2,4-thiadiazol-5-yl)methanol
SMILESNc1nsc(CO)n1
InChIInChI=1S/C3H5N3OS/c4-3-5-2(1-7)8-6-3/h7H,1H2,(H2,4,6)
InChIKeyPRTGWVJLBCISBB-UHFFFAOYSA-N
MW131.16 g/mol
LogP-0.39
Rot. Bonds1

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

(3-amino-1,2,4-thiadiazol-5-yl)methanol (PubChem CID 91192192) has the molecular formula C3H5N3OS and a molecular weight of 131.16 g/mol. Its IUPAC name is (3-amino-1,2,4-thiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-amino-1,2,4-thiadiazol-5-yl)methanol
PubChem CID91192192
Molecular FormulaC3H5N3OS
Molecular Weight131.16 g/mol
Exact Mass131.02
IUPAC Name(3-amino-1,2,4-thiadiazol-5-yl)methanol
SMILESNc1nsc(CO)n1
InChIInChI=1S/C3H5N3OS/c4-3-5-2(1-7)8-6-3/h7H,1H2,(H2,4,6)
InChIKeyPRTGWVJLBCISBB-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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Related Compounds

(1,2,4-Thiadiazol-5-yl)methanol
CID 23080869
(3-Methyl-1,2,4-thiadiazol-5-yl)methanol
CID 91647791
(5-Methyl-1,2,4-thiadiazol-3-yl)methanol
CID 20649090
5-(Ethoxymethyl)-1,2,4-thiadiazol-3-amine
CID 64544867
5-(Methoxymethyl)-1,2,4-thiadiazol-3-amine
CID 64545273
(5-Amino-1,2,4-thiadiazol-3-yl)methanol
CID 83872226

Frequently Asked Questions

What is the IUPAC name of (3-amino-1,2,4-thiadiazol-5-yl)methanol?
The IUPAC name of (3-amino-1,2,4-thiadiazol-5-yl)methanol (CID 91192192) is (3-amino-1,2,4-thiadiazol-5-yl)methanol.
What is the SMILES notation for (3-amino-1,2,4-thiadiazol-5-yl)methanol?
The canonical SMILES for (3-amino-1,2,4-thiadiazol-5-yl)methanol is Nc1nsc(CO)n1.
What is the InChIKey of (3-amino-1,2,4-thiadiazol-5-yl)methanol?
The InChIKey is PRTGWVJLBCISBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3OS/c4-3-5-2(1-7)8-6-3/h7H,1H2,(H2,4,6).
What are the key properties of (3-amino-1,2,4-thiadiazol-5-yl)methanol?
(3-amino-1,2,4-thiadiazol-5-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 (3-amino-1,2,4-thiadiazol-5-yl)methanol is sourced from PubChem (CID 91192192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).