5-(2-ethylhexoxymethyl)-1,3,4-thiadiazol-2-amine

C11H21N3OS — CID 80607771

IUPAC5-(2-ethylhexoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCCC(CC)COCc1nnc(N)s1
InChIInChI=1S/C11H21N3OS/c1-3-5-6-9(4-2)7-15-8-10-13-14-11(12)16-10/h9H,3-8H2,1-2H3,(H2,12,14)
InChIKeyYHFMUMSNWVLJJB-UHFFFAOYSA-N
MW243.38 g/mol
LogP2.85
Rot. Bonds8

About 5-(2-ethylhexoxymethyl)-1,3,4-thiadiazol-2-amine

5-(2-ethylhexoxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80607771) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 5-(2-ethylhexoxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-ethylhexoxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80607771
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name5-(2-ethylhexoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCCC(CC)COCc1nnc(N)s1
InChIInChI=1S/C11H21N3OS/c1-3-5-6-9(4-2)7-15-8-10-13-14-11(12)16-10/h9H,3-8H2,1-2H3,(H2,12,14)
InChIKeyYHFMUMSNWVLJJB-UHFFFAOYSA-N
XLogP2.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylhexoxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-ethylhexoxymethyl)-1,3,4-thiadiazol-2-amine (CID 80607771) is 5-(2-ethylhexoxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-ethylhexoxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-ethylhexoxymethyl)-1,3,4-thiadiazol-2-amine is CCCCC(CC)COCc1nnc(N)s1.
What is the InChIKey of 5-(2-ethylhexoxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is YHFMUMSNWVLJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-3-5-6-9(4-2)7-15-8-10-13-14-11(12)16-10/h9H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of 5-(2-ethylhexoxymethyl)-1,3,4-thiadiazol-2-amine?
5-(2-ethylhexoxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 243.38 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylhexoxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).