3-(2-methoxyethyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine

C11H16N4O2S — CID 75399638

IUPAC3-(2-methoxyethyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(N(C)Cc2cc(C)on2)n1
InChIInChI=1S/C11H16N4O2S/c1-8-6-9(13-17-8)7-15(2)11-12-10(14-18-11)4-5-16-3/h6H,4-5,7H2,1-3H3
InChIKeyZTCAITKSNQPAIN-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.66
Rot. Bonds6

About 3-(2-methoxyethyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine

3-(2-methoxyethyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 75399638) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID75399638
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name3-(2-methoxyethyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(N(C)Cc2cc(C)on2)n1
InChIInChI=1S/C11H16N4O2S/c1-8-6-9(13-17-8)7-15(2)11-12-10(14-18-11)4-5-16-3/h6H,4-5,7H2,1-3H3
InChIKeyZTCAITKSNQPAIN-UHFFFAOYSA-N
XLogP1.66
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-methoxyethyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 75399638) is 3-(2-methoxyethyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-methoxyethyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-methoxyethyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine is COCCc1nsc(N(C)Cc2cc(C)on2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is ZTCAITKSNQPAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-8-6-9(13-17-8)7-15(2)11-12-10(14-18-11)4-5-16-3/h6H,4-5,7H2,1-3H3.
What are the key properties of 3-(2-methoxyethyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-(2-methoxyethyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 268.34 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 75399638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).