5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine

C9H18N4OS — CID 80607006

IUPAC5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCN(Cc1nnc(N)s1)C(C)COC
InChIInChI=1S/C9H18N4OS/c1-4-13(7(2)6-14-3)5-8-11-12-9(10)15-8/h7H,4-6H2,1-3H3,(H2,10,12)
InChIKeyUGRLZXFGDSSZOI-UHFFFAOYSA-N
MW230.34 g/mol
LogP0.98
Rot. Bonds6

About 5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine

5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80607006) has the molecular formula C9H18N4OS and a molecular weight of 230.34 g/mol. Its IUPAC name is 5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80607006
Molecular FormulaC9H18N4OS
Molecular Weight230.34 g/mol
Exact Mass230.12
IUPAC Name5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCN(Cc1nnc(N)s1)C(C)COC
InChIInChI=1S/C9H18N4OS/c1-4-13(7(2)6-14-3)5-8-11-12-9(10)15-8/h7H,4-6H2,1-3H3,(H2,10,12)
InChIKeyUGRLZXFGDSSZOI-UHFFFAOYSA-N
XLogP0.98
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine (CID 80607006) is 5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine is CCN(Cc1nnc(N)s1)C(C)COC.
What is the InChIKey of 5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is UGRLZXFGDSSZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS/c1-4-13(7(2)6-14-3)5-8-11-12-9(10)15-8/h7H,4-6H2,1-3H3,(H2,10,12).
What are the key properties of 5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine?
5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 230.34 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).