[2-(1-ethoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methanamine

C11H20N2OS — CID 116730526

IUPAC[2-(1-ethoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCCOC(c1nc(C)c(CN)s1)C(C)C
InChIInChI=1S/C11H20N2OS/c1-5-14-10(7(2)3)11-13-8(4)9(6-12)15-11/h7,10H,5-6,12H2,1-4H3
InChIKeyWBABVIRAYFAJJW-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.64
Rot. Bonds5

About [2-(1-ethoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methanamine

[2-(1-ethoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methanamine (PubChem CID 116730526) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is [2-(1-ethoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-ethoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methanamine
PubChem CID116730526
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name[2-(1-ethoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCCOC(c1nc(C)c(CN)s1)C(C)C
InChIInChI=1S/C11H20N2OS/c1-5-14-10(7(2)3)11-13-8(4)9(6-12)15-11/h7,10H,5-6,12H2,1-4H3
InChIKeyWBABVIRAYFAJJW-UHFFFAOYSA-N
XLogP2.64
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1-ethoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methanamine (CID 116730526) is [2-(1-ethoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-ethoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1-ethoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methanamine is CCOC(c1nc(C)c(CN)s1)C(C)C.
What is the InChIKey of [2-(1-ethoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is WBABVIRAYFAJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-5-14-10(7(2)3)11-13-8(4)9(6-12)15-11/h7,10H,5-6,12H2,1-4H3.
What are the key properties of [2-(1-ethoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
[2-(1-ethoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 228.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 116730526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).