4-[[butan-2-yl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine

C12H24N4S — CID 62182376

IUPAC4-[[butan-2-yl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(CC)C(C)CC
InChIInChI=1S/C12H24N4S/c1-5-8-13-12-11(14-15-17-12)9-16(7-3)10(4)6-2/h10,13H,5-9H2,1-4H3
InChIKeyCRLYRMNLXSINIW-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.98
Rot. Bonds8

About 4-[[butan-2-yl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine

4-[[butan-2-yl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine (PubChem CID 62182376) has the molecular formula C12H24N4S and a molecular weight of 256.42 g/mol. Its IUPAC name is 4-[[butan-2-yl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[butan-2-yl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine
PubChem CID62182376
Molecular FormulaC12H24N4S
Molecular Weight256.42 g/mol
Exact Mass256.17
IUPAC Name4-[[butan-2-yl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(CC)C(C)CC
InChIInChI=1S/C12H24N4S/c1-5-8-13-12-11(14-15-17-12)9-16(7-3)10(4)6-2/h10,13H,5-9H2,1-4H3
InChIKeyCRLYRMNLXSINIW-UHFFFAOYSA-N
XLogP2.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.98
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(ethyl)amino]methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[[butan-2-yl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine (CID 62182376) is 4-[[butan-2-yl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[butan-2-yl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[butan-2-yl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(CC)C(C)CC.
What is the InChIKey of 4-[[butan-2-yl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is CRLYRMNLXSINIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S/c1-5-8-13-12-11(14-15-17-12)9-16(7-3)10(4)6-2/h10,13H,5-9H2,1-4H3.
What are the key properties of 4-[[butan-2-yl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine?
4-[[butan-2-yl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine has a molecular weight of 256.42 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butan-2-yl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 62182376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).