3-(2-ethoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole

C8H14N2OS — CID 135170706

IUPAC3-(2-ethoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole
SMILESCCOC(C)(C)c1nsc(C)n1
InChIInChI=1S/C8H14N2OS/c1-5-11-8(3,4)7-9-6(2)12-10-7/h5H2,1-4H3
InChIKeyMHTIPQVDBMPRKK-UHFFFAOYSA-N
MW186.28 g/mol
LogP2.12
Rot. Bonds3

About 3-(2-ethoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole

3-(2-ethoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole (PubChem CID 135170706) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-(2-ethoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(2-ethoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole
PubChem CID135170706
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name3-(2-ethoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole
SMILESCCOC(C)(C)c1nsc(C)n1
InChIInChI=1S/C8H14N2OS/c1-5-11-8(3,4)7-9-6(2)12-10-7/h5H2,1-4H3
InChIKeyMHTIPQVDBMPRKK-UHFFFAOYSA-N
XLogP2.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 79202176
(3-(Propan-2-yl)-1,2,4-thiadiazol-5-yl)methanol
CID 17832025
(3-Ethyl-1,2,4-thiadiazol-5-yl)methanol
CID 67257370
5-Chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole
CID 79194891
(3-Tert-butyl-1,2,4-thiadiazol-5-yl)methanol
CID 57736333
3-(2-Methoxypropan-2-yl)-5-propan-2-yl-1,2,4-thiadiazole
CID 90398010
3-(2-Methoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole
CID 90400203
3-(Ethoxymethyl)-5-methyl-1,2,4-thiadiazole
CID 135170708
5-(2-Methoxyethyl)-3-methyl-1,2,4-thiadiazole
CID 142566044
3-(2-Methoxyethyl)-5-methyl-1,2,4-thiadiazole
CID 142566079
3-(Methoxymethyl)-5-methyl-1,2,4-thiadiazole
CID 142566137
5-(Methoxymethyl)-3-methyl-1,2,4-thiadiazole
CID 142566183

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole?
The IUPAC name of 3-(2-ethoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole (CID 135170706) is 3-(2-ethoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-(2-ethoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole?
The canonical SMILES for 3-(2-ethoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole is CCOC(C)(C)c1nsc(C)n1.
What is the InChIKey of 3-(2-ethoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole?
The InChIKey is MHTIPQVDBMPRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-5-11-8(3,4)7-9-6(2)12-10-7/h5H2,1-4H3.
What are the key properties of 3-(2-ethoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole?
3-(2-ethoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole has a molecular weight of 186.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 135170706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).