2-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine

C8H15N3OS — CID 112605772

IUPAC2-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCC(C)OCc1nnc(CCN)s1
InChIInChI=1S/C8H15N3OS/c1-6(2)12-5-8-11-10-7(13-8)3-4-9/h6H,3-5,9H2,1-2H3
InChIKeyJEEVUBCRYKTHIT-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.96
Rot. Bonds5

About 2-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine

2-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 112605772) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID112605772
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name2-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCC(C)OCc1nnc(CCN)s1
InChIInChI=1S/C8H15N3OS/c1-6(2)12-5-8-11-10-7(13-8)3-4-9/h6H,3-5,9H2,1-2H3
InChIKeyJEEVUBCRYKTHIT-UHFFFAOYSA-N
XLogP0.96
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 112605772) is 2-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine is CC(C)OCc1nnc(CCN)s1.
What is the InChIKey of 2-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is JEEVUBCRYKTHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-6(2)12-5-8-11-10-7(13-8)3-4-9/h6H,3-5,9H2,1-2H3.
What are the key properties of 2-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine?
2-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 201.29 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 112605772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).