2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]butan-2-amine

C8H15N3OS — CID 65273463

IUPAC2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]butan-2-amine
SMILESCCC(C)(N)COc1nc(C)ns1
InChIInChI=1S/C8H15N3OS/c1-4-8(3,9)5-12-7-10-6(2)11-13-7/h4-5,9H2,1-3H3
InChIKeySEBGHFVYDMPXCY-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.35
Rot. Bonds4

About 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]butan-2-amine

2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]butan-2-amine (PubChem CID 65273463) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]butan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]butan-2-amine
PubChem CID65273463
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]butan-2-amine
SMILESCCC(C)(N)COc1nc(C)ns1
InChIInChI=1S/C8H15N3OS/c1-4-8(3,9)5-12-7-10-6(2)11-13-7/h4-5,9H2,1-3H3
InChIKeySEBGHFVYDMPXCY-UHFFFAOYSA-N
XLogP1.35
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]butan-2-amine?
The IUPAC name of 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]butan-2-amine (CID 65273463) is 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]butan-2-amine.
What is the SMILES notation for 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]butan-2-amine?
The canonical SMILES for 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]butan-2-amine is CCC(C)(N)COc1nc(C)ns1.
What is the InChIKey of 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]butan-2-amine?
The InChIKey is SEBGHFVYDMPXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-4-8(3,9)5-12-7-10-6(2)11-13-7/h4-5,9H2,1-3H3.
What are the key properties of 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]butan-2-amine?
2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]butan-2-amine has a molecular weight of 201.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]butan-2-amine is sourced from PubChem (CID 65273463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).