[3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxetan-3-yl]methanol

C8H13N3O2S — CID 130662949

IUPAC[3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxetan-3-yl]methanol
SMILESCc1nnc(NCC2(CO)COC2)s1
InChIInChI=1S/C8H13N3O2S/c1-6-10-11-7(14-6)9-2-8(3-12)4-13-5-8/h12H,2-5H2,1H3,(H,9,11)
InChIKeyVJGIPYXAYHBFTL-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.27
Rot. Bonds4

About [3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxetan-3-yl]methanol

[3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxetan-3-yl]methanol (PubChem CID 130662949) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is [3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxetan-3-yl]methanol
PubChem CID130662949
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name[3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxetan-3-yl]methanol
SMILESCc1nnc(NCC2(CO)COC2)s1
InChIInChI=1S/C8H13N3O2S/c1-6-10-11-7(14-6)9-2-8(3-12)4-13-5-8/h12H,2-5H2,1H3,(H,9,11)
InChIKeyVJGIPYXAYHBFTL-UHFFFAOYSA-N
XLogP0.27
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxetan-3-yl]methanol (CID 130662949) is [3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxetan-3-yl]methanol is Cc1nnc(NCC2(CO)COC2)s1.
What is the InChIKey of [3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxetan-3-yl]methanol?
The InChIKey is VJGIPYXAYHBFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-6-10-11-7(14-6)9-2-8(3-12)4-13-5-8/h12H,2-5H2,1H3,(H,9,11).
What are the key properties of [3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxetan-3-yl]methanol?
[3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxetan-3-yl]methanol has a molecular weight of 215.28 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 130662949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).