5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-amine

C7H13N3OS — CID 80608941

IUPAC5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)OCc1nnc(N)s1
InChIInChI=1S/C7H13N3OS/c1-7(2,3)11-4-5-9-10-6(8)12-5/h4H2,1-3H3,(H2,8,10)
InChIKeyLFNTXRBWSDXIBX-UHFFFAOYSA-N
MW187.27 g/mol
LogP1.44
Rot. Bonds2

About 5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-amine

5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80608941) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-amine
PubChem CID80608941
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)OCc1nnc(N)s1
InChIInChI=1S/C7H13N3OS/c1-7(2,3)11-4-5-9-10-6(8)12-5/h4H2,1-3H3,(H2,8,10)
InChIKeyLFNTXRBWSDXIBX-UHFFFAOYSA-N
XLogP1.44
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-amine (CID 80608941) is 5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-amine is CC(C)(C)OCc1nnc(N)s1.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is LFNTXRBWSDXIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-7(2,3)11-4-5-9-10-6(8)12-5/h4H2,1-3H3,(H2,8,10).
What are the key properties of 5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-amine?
5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 187.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).