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

C9H18N4S — CID 79021832

IUPAC5-[[butyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCCN(CC)Cc1nnc(N)s1
InChIInChI=1S/C9H18N4S/c1-3-5-6-13(4-2)7-8-11-12-9(10)14-8/h3-7H2,1-2H3,(H2,10,12)
InChIKeyMBYZMOGPGIACIY-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.74
Rot. Bonds6

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

5-[[butyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 79021832) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is 5-[[butyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[butyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID79021832
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC Name5-[[butyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCCN(CC)Cc1nnc(N)s1
InChIInChI=1S/C9H18N4S/c1-3-5-6-13(4-2)7-8-11-12-9(10)14-8/h3-7H2,1-2H3,(H2,10,12)
InChIKeyMBYZMOGPGIACIY-UHFFFAOYSA-N
XLogP1.74
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[butyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[butyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine (CID 79021832) is 5-[[butyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[butyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[butyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine is CCCCN(CC)Cc1nnc(N)s1.
What is the InChIKey of 5-[[butyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MBYZMOGPGIACIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-3-5-6-13(4-2)7-8-11-12-9(10)14-8/h3-7H2,1-2H3,(H2,10,12).
What are the key properties of 5-[[butyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
5-[[butyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 214.34 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[butyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 79021832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).