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

C12H22N2OS — CID 62543626

IUPACN-(2-methoxyethyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine
SMILESCOCCNC(C)(C)c1nc(C(C)C)cs1
InChIInChI=1S/C12H22N2OS/c1-9(2)10-8-16-11(14-10)12(3,4)13-6-7-15-5/h8-9,13H,6-7H2,1-5H3
InChIKeyJYQPQEAJMMKHGL-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.74
Rot. Bonds6

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

N-(2-methoxyethyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 62543626) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID62543626
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(2-methoxyethyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine
SMILESCOCCNC(C)(C)c1nc(C(C)C)cs1
InChIInChI=1S/C12H22N2OS/c1-9(2)10-8-16-11(14-10)12(3,4)13-6-7-15-5/h8-9,13H,6-7H2,1-5H3
InChIKeyJYQPQEAJMMKHGL-UHFFFAOYSA-N
XLogP2.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.74
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-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-(2-methoxyethyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine (CID 62543626) is N-(2-methoxyethyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine is COCCNC(C)(C)c1nc(C(C)C)cs1.
What is the InChIKey of N-(2-methoxyethyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is JYQPQEAJMMKHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9(2)10-8-16-11(14-10)12(3,4)13-6-7-15-5/h8-9,13H,6-7H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine?
N-(2-methoxyethyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 62543626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).