2-methoxyethyl-[(4-methyl-1,3-thiazol-2-yl)methyl]azanium

C8H15N2OS+ — CID 7175900

IUPAC2-methoxyethyl-[(4-methyl-1,3-thiazol-2-yl)methyl]azanium
SMILESCOCC[NH2+]Cc1nc(C)cs1
InChIInChI=1S/C8H14N2OS/c1-7-6-12-8(10-7)5-9-3-4-11-2/h6,9H,3-5H2,1-2H3/p+1
InChIKeyXKKGPHPKWKXCDL-UHFFFAOYSA-O
MW187.29 g/mol
LogP0.16
Rot. Bonds5

About 2-methoxyethyl-[(4-methyl-1,3-thiazol-2-yl)methyl]azanium

2-methoxyethyl-[(4-methyl-1,3-thiazol-2-yl)methyl]azanium (PubChem CID 7175900) has the molecular formula C8H15N2OS+ and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-methoxyethyl-[(4-methyl-1,3-thiazol-2-yl)methyl]azanium.

Molecular Properties

Compound Name2-methoxyethyl-[(4-methyl-1,3-thiazol-2-yl)methyl]azanium
PubChem CID7175900
Molecular FormulaC8H15N2OS+
Molecular Weight187.29 g/mol
Exact Mass187.09
IUPAC Name2-methoxyethyl-[(4-methyl-1,3-thiazol-2-yl)methyl]azanium
SMILESCOCC[NH2+]Cc1nc(C)cs1
InChIInChI=1S/C8H14N2OS/c1-7-6-12-8(10-7)5-9-3-4-11-2/h6,9H,3-5H2,1-2H3/p+1
InChIKeyXKKGPHPKWKXCDL-UHFFFAOYSA-O
XLogP0.16
TPSA38.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-methoxyethyl-[(4-methyl-1,3-thiazol-2-yl)methyl]azanium?
The IUPAC name of 2-methoxyethyl-[(4-methyl-1,3-thiazol-2-yl)methyl]azanium (CID 7175900) is 2-methoxyethyl-[(4-methyl-1,3-thiazol-2-yl)methyl]azanium.
What is the SMILES notation for 2-methoxyethyl-[(4-methyl-1,3-thiazol-2-yl)methyl]azanium?
The canonical SMILES for 2-methoxyethyl-[(4-methyl-1,3-thiazol-2-yl)methyl]azanium is COCC[NH2+]Cc1nc(C)cs1.
What is the InChIKey of 2-methoxyethyl-[(4-methyl-1,3-thiazol-2-yl)methyl]azanium?
The InChIKey is XKKGPHPKWKXCDL-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14N2OS/c1-7-6-12-8(10-7)5-9-3-4-11-2/h6,9H,3-5H2,1-2H3/p+1.
What are the key properties of 2-methoxyethyl-[(4-methyl-1,3-thiazol-2-yl)methyl]azanium?
2-methoxyethyl-[(4-methyl-1,3-thiazol-2-yl)methyl]azanium has a molecular weight of 187.29 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl-[(4-methyl-1,3-thiazol-2-yl)methyl]azanium is sourced from PubChem (CID 7175900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).