4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine

C12H24N4OS — CID 62182120

IUPAC4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(CC)C(C)COC
InChIInChI=1S/C12H24N4OS/c1-5-7-13-12-11(14-15-18-12)8-16(6-2)10(3)9-17-4/h10,13H,5-9H2,1-4H3
InChIKeyYRKMLAGKULISLO-UHFFFAOYSA-N
MW272.42 g/mol
LogP2.22
Rot. Bonds9

About 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine

4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine (PubChem CID 62182120) has the molecular formula C12H24N4OS and a molecular weight of 272.42 g/mol. Its IUPAC name is 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
PubChem CID62182120
Molecular FormulaC12H24N4OS
Molecular Weight272.42 g/mol
Exact Mass272.17
IUPAC Name4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(CC)C(C)COC
InChIInChI=1S/C12H24N4OS/c1-5-7-13-12-11(14-15-18-12)8-16(6-2)10(3)9-17-4/h10,13H,5-9H2,1-4H3
InChIKeyYRKMLAGKULISLO-UHFFFAOYSA-N
XLogP2.22
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine (CID 62182120) is 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(CC)C(C)COC.
What is the InChIKey of 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is YRKMLAGKULISLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4OS/c1-5-7-13-12-11(14-15-18-12)8-16(6-2)10(3)9-17-4/h10,13H,5-9H2,1-4H3.
What are the key properties of 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine?
4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine has a molecular weight of 272.42 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 62182120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).