2-methyl-N-[[4-(4-methylpentan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine

C15H28N2OS — CID 55073159

IUPAC2-methyl-N-[[4-(4-methylpentan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nc(COC(C)CC(C)C)cs1
InChIInChI=1S/C15H28N2OS/c1-11(2)6-13(5)18-9-14-10-19-15(17-14)8-16-7-12(3)4/h10-13,16H,6-9H2,1-5H3
InChIKeyMYEJFVDSWUZZOC-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.84
Rot. Bonds9

About 2-methyl-N-[[4-(4-methylpentan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine

2-methyl-N-[[4-(4-methylpentan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (PubChem CID 55073159) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 2-methyl-N-[[4-(4-methylpentan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(4-methylpentan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
PubChem CID55073159
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name2-methyl-N-[[4-(4-methylpentan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nc(COC(C)CC(C)C)cs1
InChIInChI=1S/C15H28N2OS/c1-11(2)6-13(5)18-9-14-10-19-15(17-14)8-16-7-12(3)4/h10-13,16H,6-9H2,1-5H3
InChIKeyMYEJFVDSWUZZOC-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(4-methylpentan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-(4-methylpentan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (CID 55073159) is 2-methyl-N-[[4-(4-methylpentan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-(4-methylpentan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-(4-methylpentan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is CC(C)CNCc1nc(COC(C)CC(C)C)cs1.
What is the InChIKey of 2-methyl-N-[[4-(4-methylpentan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The InChIKey is MYEJFVDSWUZZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-11(2)6-13(5)18-9-14-10-19-15(17-14)8-16-7-12(3)4/h10-13,16H,6-9H2,1-5H3.
What are the key properties of 2-methyl-N-[[4-(4-methylpentan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[4-(4-methylpentan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine has a molecular weight of 284.47 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(4-methylpentan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 55073159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).