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

C4H6N2OS — CID 91647791

IUPAC(3-methyl-1,2,4-thiadiazol-5-yl)methanol
SMILESCc1nsc(CO)n1
InChIInChI=1S/C4H6N2OS/c1-3-5-4(2-7)8-6-3/h7H,2H2,1H3
InChIKeyUHFFKYFGQOHSCC-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.34
Rot. Bonds1

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

(3-methyl-1,2,4-thiadiazol-5-yl)methanol (PubChem CID 91647791) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is (3-methyl-1,2,4-thiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-methyl-1,2,4-thiadiazol-5-yl)methanol
PubChem CID91647791
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC Name(3-methyl-1,2,4-thiadiazol-5-yl)methanol
SMILESCc1nsc(CO)n1
InChIInChI=1S/C4H6N2OS/c1-3-5-4(2-7)8-6-3/h7H,2H2,1H3
InChIKeyUHFFKYFGQOHSCC-UHFFFAOYSA-N
XLogP0.34
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-thiadiazol-5-yl)methanol?
The IUPAC name of (3-methyl-1,2,4-thiadiazol-5-yl)methanol (CID 91647791) is (3-methyl-1,2,4-thiadiazol-5-yl)methanol.
What is the SMILES notation for (3-methyl-1,2,4-thiadiazol-5-yl)methanol?
The canonical SMILES for (3-methyl-1,2,4-thiadiazol-5-yl)methanol is Cc1nsc(CO)n1.
What is the InChIKey of (3-methyl-1,2,4-thiadiazol-5-yl)methanol?
The InChIKey is UHFFKYFGQOHSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS/c1-3-5-4(2-7)8-6-3/h7H,2H2,1H3.
What are the key properties of (3-methyl-1,2,4-thiadiazol-5-yl)methanol?
(3-methyl-1,2,4-thiadiazol-5-yl)methanol has a molecular weight of 130.17 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-thiadiazol-5-yl)methanol is sourced from PubChem (CID 91647791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).