4-[[ethyl(methyl)amino]methyl]thiadiazol-5-amine

C6H12N4S — CID 62183424

IUPAC4-[[ethyl(methyl)amino]methyl]thiadiazol-5-amine
SMILESCCN(C)Cc1nnsc1N
InChIInChI=1S/C6H12N4S/c1-3-10(2)4-5-6(7)11-9-8-5/h3-4,7H2,1-2H3
InChIKeyZXLSEKXPVZLBBC-UHFFFAOYSA-N
MW172.26 g/mol
LogP0.57
Rot. Bonds3

About 4-[[ethyl(methyl)amino]methyl]thiadiazol-5-amine

4-[[ethyl(methyl)amino]methyl]thiadiazol-5-amine (PubChem CID 62183424) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is 4-[[ethyl(methyl)amino]methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[[ethyl(methyl)amino]methyl]thiadiazol-5-amine
PubChem CID62183424
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC Name4-[[ethyl(methyl)amino]methyl]thiadiazol-5-amine
SMILESCCN(C)Cc1nnsc1N
InChIInChI=1S/C6H12N4S/c1-3-10(2)4-5-6(7)11-9-8-5/h3-4,7H2,1-2H3
InChIKeyZXLSEKXPVZLBBC-UHFFFAOYSA-N
XLogP0.57
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(methyl)amino]methyl]thiadiazol-5-amine?
The IUPAC name of 4-[[ethyl(methyl)amino]methyl]thiadiazol-5-amine (CID 62183424) is 4-[[ethyl(methyl)amino]methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[[ethyl(methyl)amino]methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[[ethyl(methyl)amino]methyl]thiadiazol-5-amine is CCN(C)Cc1nnsc1N.
What is the InChIKey of 4-[[ethyl(methyl)amino]methyl]thiadiazol-5-amine?
The InChIKey is ZXLSEKXPVZLBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-3-10(2)4-5-6(7)11-9-8-5/h3-4,7H2,1-2H3.
What are the key properties of 4-[[ethyl(methyl)amino]methyl]thiadiazol-5-amine?
4-[[ethyl(methyl)amino]methyl]thiadiazol-5-amine has a molecular weight of 172.26 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(methyl)amino]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62183424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).