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

C8H15N3S — CID 65272801

IUPAC3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine
SMILESCc1nsc(CC(N)C(C)C)n1
InChIInChI=1S/C8H15N3S/c1-5(2)7(9)4-8-10-6(3)11-12-8/h5,7H,4,9H2,1-3H3
InChIKeyDYYSCSCUVDUVCC-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.37
Rot. Bonds3

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

3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine (PubChem CID 65272801) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine
PubChem CID65272801
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine
SMILESCc1nsc(CC(N)C(C)C)n1
InChIInChI=1S/C8H15N3S/c1-5(2)7(9)4-8-10-6(3)11-12-8/h5,7H,4,9H2,1-3H3
InChIKeyDYYSCSCUVDUVCC-UHFFFAOYSA-N
XLogP1.37
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
The IUPAC name of 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine (CID 65272801) is 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine.
What is the SMILES notation for 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
The canonical SMILES for 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine is Cc1nsc(CC(N)C(C)C)n1.
What is the InChIKey of 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
The InChIKey is DYYSCSCUVDUVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-5(2)7(9)4-8-10-6(3)11-12-8/h5,7H,4,9H2,1-3H3.
What are the key properties of 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine has a molecular weight of 185.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 65272801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).