5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine

C11H20N2O3S2 — CID 113427109

IUPAC5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOCCOCCOCCSc1sc(N)nc1C
InChIInChI=1S/C11H20N2O3S2/c1-9-10(18-11(12)13-9)17-8-7-16-6-5-15-4-3-14-2/h3-8H2,1-2H3,(H2,12,13)
InChIKeyJYDOFEDLEAJVBH-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.81
Rot. Bonds10

About 5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine

5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 113427109) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID113427109
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC Name5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOCCOCCOCCSc1sc(N)nc1C
InChIInChI=1S/C11H20N2O3S2/c1-9-10(18-11(12)13-9)17-8-7-16-6-5-15-4-3-14-2/h3-8H2,1-2H3,(H2,12,13)
InChIKeyJYDOFEDLEAJVBH-UHFFFAOYSA-N
XLogP1.81
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine (CID 113427109) is 5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine is COCCOCCOCCSc1sc(N)nc1C.
What is the InChIKey of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is JYDOFEDLEAJVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-9-10(18-11(12)13-9)17-8-7-16-6-5-15-4-3-14-2/h3-8H2,1-2H3,(H2,12,13).
What are the key properties of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 292.43 g/mol, XLogP of 1.81, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 113427109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).