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

C9H17N3S — CID 65272742

IUPAC3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine
SMILESCc1nsc(CC(N)C(C)(C)C)n1
InChIInChI=1S/C9H17N3S/c1-6-11-8(13-12-6)5-7(10)9(2,3)4/h7H,5,10H2,1-4H3
InChIKeyONYLPRBXTQOGPI-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.76
Rot. Bonds2

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

3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine (PubChem CID 65272742) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine
PubChem CID65272742
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine
SMILESCc1nsc(CC(N)C(C)(C)C)n1
InChIInChI=1S/C9H17N3S/c1-6-11-8(13-12-6)5-7(10)9(2,3)4/h7H,5,10H2,1-4H3
InChIKeyONYLPRBXTQOGPI-UHFFFAOYSA-N
XLogP1.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine (CID 65272742) is 3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine is Cc1nsc(CC(N)C(C)(C)C)n1.
What is the InChIKey of 3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
The InChIKey is ONYLPRBXTQOGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-6-11-8(13-12-6)5-7(10)9(2,3)4/h7H,5,10H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine has a molecular weight of 199.32 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 65272742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).