N-(2-methoxyethyl)-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-amine

C11H20N2OS2 — CID 103089624

IUPACN-(2-methoxyethyl)-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-amine
SMILESCOCCNC(CCCSC)c1nccs1
InChIInChI=1S/C11H20N2OS2/c1-14-7-5-12-10(4-3-8-15-2)11-13-6-9-16-11/h6,9-10,12H,3-5,7-8H2,1-2H3
InChIKeyHESXDGXEPVEIIO-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.56
Rot. Bonds9

About N-(2-methoxyethyl)-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-amine

N-(2-methoxyethyl)-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-amine (PubChem CID 103089624) has the molecular formula C11H20N2OS2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-amine
PubChem CID103089624
Molecular FormulaC11H20N2OS2
Molecular Weight260.43 g/mol
Exact Mass260.10
IUPAC NameN-(2-methoxyethyl)-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-amine
SMILESCOCCNC(CCCSC)c1nccs1
InChIInChI=1S/C11H20N2OS2/c1-14-7-5-12-10(4-3-8-15-2)11-13-6-9-16-11/h6,9-10,12H,3-5,7-8H2,1-2H3
InChIKeyHESXDGXEPVEIIO-UHFFFAOYSA-N
XLogP2.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-amine (CID 103089624) is N-(2-methoxyethyl)-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-amine is COCCNC(CCCSC)c1nccs1.
What is the InChIKey of N-(2-methoxyethyl)-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is HESXDGXEPVEIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS2/c1-14-7-5-12-10(4-3-8-15-2)11-13-6-9-16-11/h6,9-10,12H,3-5,7-8H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-amine?
N-(2-methoxyethyl)-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 103089624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).