2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine

C13H24N2OS — CID 62543799

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
SMILESCOCCNC(C)(c1nc(C)c(C)s1)C(C)C
InChIInChI=1S/C13H24N2OS/c1-9(2)13(5,14-7-8-16-6)12-15-10(3)11(4)17-12/h9,14H,7-8H2,1-6H3
InChIKeyOGVRUSWQNHGABL-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.87
Rot. Bonds6

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine

2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine (PubChem CID 62543799) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
PubChem CID62543799
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
SMILESCOCCNC(C)(c1nc(C)c(C)s1)C(C)C
InChIInChI=1S/C13H24N2OS/c1-9(2)13(5,14-7-8-16-6)12-15-10(3)11(4)17-12/h9,14H,7-8H2,1-6H3
InChIKeyOGVRUSWQNHGABL-UHFFFAOYSA-N
XLogP2.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.87
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 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine (CID 62543799) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine is COCCNC(C)(c1nc(C)c(C)s1)C(C)C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine?
The InChIKey is OGVRUSWQNHGABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-9(2)13(5,14-7-8-16-6)12-15-10(3)11(4)17-12/h9,14H,7-8H2,1-6H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine has a molecular weight of 256.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine is sourced from PubChem (CID 62543799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).