5-[[butyl(methyl)amino]methyl]-1,3,4-thiadiazol-2-amine

C8H16N4S — CID 79021770

IUPAC5-[[butyl(methyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCCN(C)Cc1nnc(N)s1
InChIInChI=1S/C8H16N4S/c1-3-4-5-12(2)6-7-10-11-8(9)13-7/h3-6H2,1-2H3,(H2,9,11)
InChIKeyJTAFAUODVMWQAF-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.35
Rot. Bonds5

About 5-[[butyl(methyl)amino]methyl]-1,3,4-thiadiazol-2-amine

5-[[butyl(methyl)amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 79021770) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is 5-[[butyl(methyl)amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[butyl(methyl)amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID79021770
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC Name5-[[butyl(methyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCCN(C)Cc1nnc(N)s1
InChIInChI=1S/C8H16N4S/c1-3-4-5-12(2)6-7-10-11-8(9)13-7/h3-6H2,1-2H3,(H2,9,11)
InChIKeyJTAFAUODVMWQAF-UHFFFAOYSA-N
XLogP1.35
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[butyl(methyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[butyl(methyl)amino]methyl]-1,3,4-thiadiazol-2-amine (CID 79021770) is 5-[[butyl(methyl)amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[butyl(methyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[butyl(methyl)amino]methyl]-1,3,4-thiadiazol-2-amine is CCCCN(C)Cc1nnc(N)s1.
What is the InChIKey of 5-[[butyl(methyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is JTAFAUODVMWQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S/c1-3-4-5-12(2)6-7-10-11-8(9)13-7/h3-6H2,1-2H3,(H2,9,11).
What are the key properties of 5-[[butyl(methyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
5-[[butyl(methyl)amino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 200.31 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[butyl(methyl)amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 79021770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).