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

C7H14N4S — CID 62182032

IUPAC4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine
SMILESCCCN(C)Cc1nnsc1N
InChIInChI=1S/C7H14N4S/c1-3-4-11(2)5-6-7(8)12-10-9-6/h3-5,8H2,1-2H3
InChIKeyGGYHTXMMRQERQY-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.96
Rot. Bonds4

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

4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine (PubChem CID 62182032) has the molecular formula C7H14N4S and a molecular weight of 186.28 g/mol. Its IUPAC name is 4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine
PubChem CID62182032
Molecular FormulaC7H14N4S
Molecular Weight186.28 g/mol
Exact Mass186.09
IUPAC Name4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine
SMILESCCCN(C)Cc1nnsc1N
InChIInChI=1S/C7H14N4S/c1-3-4-11(2)5-6-7(8)12-10-9-6/h3-5,8H2,1-2H3
InChIKeyGGYHTXMMRQERQY-UHFFFAOYSA-N
XLogP0.96
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine?
The IUPAC name of 4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine (CID 62182032) is 4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine is CCCN(C)Cc1nnsc1N.
What is the InChIKey of 4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine?
The InChIKey is GGYHTXMMRQERQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S/c1-3-4-11(2)5-6-7(8)12-10-9-6/h3-5,8H2,1-2H3.
What are the key properties of 4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine?
4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine has a molecular weight of 186.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62182032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).