3-(2-methoxypropan-2-yl)-5-propan-2-yl-1,2,4-thiadiazole

C9H16N2OS — CID 90398010

IUPAC3-(2-methoxypropan-2-yl)-5-propan-2-yl-1,2,4-thiadiazole
SMILESCOC(C)(C)c1nsc(C(C)C)n1
InChIInChI=1S/C9H16N2OS/c1-6(2)7-10-8(11-13-7)9(3,4)12-5/h6H,1-5H3
InChIKeyWEXLIVMYBGCTBH-UHFFFAOYSA-N
MW200.31 g/mol
LogP2.54
Rot. Bonds3

About 3-(2-methoxypropan-2-yl)-5-propan-2-yl-1,2,4-thiadiazole

3-(2-methoxypropan-2-yl)-5-propan-2-yl-1,2,4-thiadiazole (PubChem CID 90398010) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 3-(2-methoxypropan-2-yl)-5-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(2-methoxypropan-2-yl)-5-propan-2-yl-1,2,4-thiadiazole
PubChem CID90398010
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name3-(2-methoxypropan-2-yl)-5-propan-2-yl-1,2,4-thiadiazole
SMILESCOC(C)(C)c1nsc(C(C)C)n1
InChIInChI=1S/C9H16N2OS/c1-6(2)7-10-8(11-13-7)9(3,4)12-5/h6H,1-5H3
InChIKeyWEXLIVMYBGCTBH-UHFFFAOYSA-N
XLogP2.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypropan-2-yl)-5-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 3-(2-methoxypropan-2-yl)-5-propan-2-yl-1,2,4-thiadiazole (CID 90398010) is 3-(2-methoxypropan-2-yl)-5-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-(2-methoxypropan-2-yl)-5-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-(2-methoxypropan-2-yl)-5-propan-2-yl-1,2,4-thiadiazole is COC(C)(C)c1nsc(C(C)C)n1.
What is the InChIKey of 3-(2-methoxypropan-2-yl)-5-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is WEXLIVMYBGCTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-6(2)7-10-8(11-13-7)9(3,4)12-5/h6H,1-5H3.
What are the key properties of 3-(2-methoxypropan-2-yl)-5-propan-2-yl-1,2,4-thiadiazole?
3-(2-methoxypropan-2-yl)-5-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 200.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypropan-2-yl)-5-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 90398010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).