N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)propan-2-amine

C9H16N2OS — CID 62543951

IUPACN-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCOCCNC(C)(C)c1nccs1
InChIInChI=1S/C9H16N2OS/c1-9(2,11-4-6-12-3)8-10-5-7-13-8/h5,7,11H,4,6H2,1-3H3
InChIKeyALPDXMKBLPMOMD-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.61
Rot. Bonds5

About N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)propan-2-amine

N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 62543951) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID62543951
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC NameN-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCOCCNC(C)(C)c1nccs1
InChIInChI=1S/C9H16N2OS/c1-9(2,11-4-6-12-3)8-10-5-7-13-8/h5,7,11H,4,6H2,1-3H3
InChIKeyALPDXMKBLPMOMD-UHFFFAOYSA-N
XLogP1.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-2-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)propan-2-amine (CID 62543951) is N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)propan-2-amine is COCCNC(C)(C)c1nccs1.
What is the InChIKey of N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is ALPDXMKBLPMOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-9(2,11-4-6-12-3)8-10-5-7-13-8/h5,7,11H,4,6H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 200.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 62543951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).