4-[[butan-2-yl(butyl)amino]methyl]thiadiazol-5-amine

C11H22N4S — CID 62207086

IUPAC4-[[butan-2-yl(butyl)amino]methyl]thiadiazol-5-amine
SMILESCCCCN(Cc1nnsc1N)C(C)CC
InChIInChI=1S/C11H22N4S/c1-4-6-7-15(9(3)5-2)8-10-11(12)16-14-13-10/h9H,4-8,12H2,1-3H3
InChIKeyONUJZWRHYKVZFK-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.52
Rot. Bonds7

About 4-[[butan-2-yl(butyl)amino]methyl]thiadiazol-5-amine

4-[[butan-2-yl(butyl)amino]methyl]thiadiazol-5-amine (PubChem CID 62207086) has the molecular formula C11H22N4S and a molecular weight of 242.39 g/mol. Its IUPAC name is 4-[[butan-2-yl(butyl)amino]methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[[butan-2-yl(butyl)amino]methyl]thiadiazol-5-amine
PubChem CID62207086
Molecular FormulaC11H22N4S
Molecular Weight242.39 g/mol
Exact Mass242.16
IUPAC Name4-[[butan-2-yl(butyl)amino]methyl]thiadiazol-5-amine
SMILESCCCCN(Cc1nnsc1N)C(C)CC
InChIInChI=1S/C11H22N4S/c1-4-6-7-15(9(3)5-2)8-10-11(12)16-14-13-10/h9H,4-8,12H2,1-3H3
InChIKeyONUJZWRHYKVZFK-UHFFFAOYSA-N
XLogP2.52
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[butan-2-yl(butyl)amino]methyl]thiadiazol-5-amine?
The IUPAC name of 4-[[butan-2-yl(butyl)amino]methyl]thiadiazol-5-amine (CID 62207086) is 4-[[butan-2-yl(butyl)amino]methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[[butan-2-yl(butyl)amino]methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[[butan-2-yl(butyl)amino]methyl]thiadiazol-5-amine is CCCCN(Cc1nnsc1N)C(C)CC.
What is the InChIKey of 4-[[butan-2-yl(butyl)amino]methyl]thiadiazol-5-amine?
The InChIKey is ONUJZWRHYKVZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S/c1-4-6-7-15(9(3)5-2)8-10-11(12)16-14-13-10/h9H,4-8,12H2,1-3H3.
What are the key properties of 4-[[butan-2-yl(butyl)amino]methyl]thiadiazol-5-amine?
4-[[butan-2-yl(butyl)amino]methyl]thiadiazol-5-amine has a molecular weight of 242.39 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butan-2-yl(butyl)amino]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62207086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).