N-(2-methoxyethyl)-5-methyl-3-(1,3-thiazol-2-yl)thiolan-3-amine

C11H18N2OS2 — CID 79950255

IUPACN-(2-methoxyethyl)-5-methyl-3-(1,3-thiazol-2-yl)thiolan-3-amine
SMILESCOCCNC1(c2nccs2)CSC(C)C1
InChIInChI=1S/C11H18N2OS2/c1-9-7-11(8-16-9,13-3-5-14-2)10-12-4-6-15-10/h4,6,9,13H,3,5,7-8H2,1-2H3
InChIKeyALAPUNGYMLBQSY-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.10
Rot. Bonds5

About N-(2-methoxyethyl)-5-methyl-3-(1,3-thiazol-2-yl)thiolan-3-amine

N-(2-methoxyethyl)-5-methyl-3-(1,3-thiazol-2-yl)thiolan-3-amine (PubChem CID 79950255) has the molecular formula C11H18N2OS2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-methyl-3-(1,3-thiazol-2-yl)thiolan-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-methyl-3-(1,3-thiazol-2-yl)thiolan-3-amine
PubChem CID79950255
Molecular FormulaC11H18N2OS2
Molecular Weight258.41 g/mol
Exact Mass258.09
IUPAC NameN-(2-methoxyethyl)-5-methyl-3-(1,3-thiazol-2-yl)thiolan-3-amine
SMILESCOCCNC1(c2nccs2)CSC(C)C1
InChIInChI=1S/C11H18N2OS2/c1-9-7-11(8-16-9,13-3-5-14-2)10-12-4-6-15-10/h4,6,9,13H,3,5,7-8H2,1-2H3
InChIKeyALAPUNGYMLBQSY-UHFFFAOYSA-N
XLogP2.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.10
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)-5-methyl-3-(1,3-thiazol-2-yl)thiolan-3-amine?
The IUPAC name of N-(2-methoxyethyl)-5-methyl-3-(1,3-thiazol-2-yl)thiolan-3-amine (CID 79950255) is N-(2-methoxyethyl)-5-methyl-3-(1,3-thiazol-2-yl)thiolan-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-methyl-3-(1,3-thiazol-2-yl)thiolan-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-methyl-3-(1,3-thiazol-2-yl)thiolan-3-amine is COCCNC1(c2nccs2)CSC(C)C1.
What is the InChIKey of N-(2-methoxyethyl)-5-methyl-3-(1,3-thiazol-2-yl)thiolan-3-amine?
The InChIKey is ALAPUNGYMLBQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS2/c1-9-7-11(8-16-9,13-3-5-14-2)10-12-4-6-15-10/h4,6,9,13H,3,5,7-8H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-5-methyl-3-(1,3-thiazol-2-yl)thiolan-3-amine?
N-(2-methoxyethyl)-5-methyl-3-(1,3-thiazol-2-yl)thiolan-3-amine has a molecular weight of 258.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-methyl-3-(1,3-thiazol-2-yl)thiolan-3-amine is sourced from PubChem (CID 79950255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).