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

C8H15N3S — CID 65208286

IUPACN-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine
SMILESCNC(C)C(C)c1nnc(C)s1
InChIInChI=1S/C8H15N3S/c1-5(6(2)9-4)8-11-10-7(3)12-8/h5-6,9H,1-4H3
InChIKeyXRVXDPMNXGFNHO-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.56
Rot. Bonds3

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

N-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine (PubChem CID 65208286) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine
PubChem CID65208286
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine
SMILESCNC(C)C(C)c1nnc(C)s1
InChIInChI=1S/C8H15N3S/c1-5(6(2)9-4)8-11-10-7(3)12-8/h5-6,9H,1-4H3
InChIKeyXRVXDPMNXGFNHO-UHFFFAOYSA-N
XLogP1.56
TPSA37.81 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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine?
The IUPAC name of N-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine (CID 65208286) is N-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine.
What is the SMILES notation for N-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine?
The canonical SMILES for N-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine is CNC(C)C(C)c1nnc(C)s1.
What is the InChIKey of N-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine?
The InChIKey is XRVXDPMNXGFNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-5(6(2)9-4)8-11-10-7(3)12-8/h5-6,9H,1-4H3.
What are the key properties of N-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine?
N-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine has a molecular weight of 185.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine is sourced from PubChem (CID 65208286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).