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

C15H28N2OS — CID 103285606

IUPAC2-methyl-N-[[4-(2-methylpentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCCCC(C)COCc1csc(CNC(C)(C)C)n1
InChIInChI=1S/C15H28N2OS/c1-6-7-12(2)9-18-10-13-11-19-14(17-13)8-16-15(3,4)5/h11-12,16H,6-10H2,1-5H3
InChIKeyXKZRUTNLKBZDHO-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.98
Rot. Bonds8

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

2-methyl-N-[[4-(2-methylpentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (PubChem CID 103285606) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 2-methyl-N-[[4-(2-methylpentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(2-methylpentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
PubChem CID103285606
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name2-methyl-N-[[4-(2-methylpentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCCCC(C)COCc1csc(CNC(C)(C)C)n1
InChIInChI=1S/C15H28N2OS/c1-6-7-12(2)9-18-10-13-11-19-14(17-13)8-16-15(3,4)5/h11-12,16H,6-10H2,1-5H3
InChIKeyXKZRUTNLKBZDHO-UHFFFAOYSA-N
XLogP3.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 82006022
2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62449895
2-methyl-N-[[4-[2-(2-methylpropoxy)ethoxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 106449918
N-[[4-(1-ethoxypropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 103490551
N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 55074027
2-methyl-N-[[4-(phenoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62454477
N-[[4-[(2-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62444364
2-methyl-N-[[5-methyl-4-(2-methylpentoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 103285559
N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine
CID 62421494
2-methyl-N-[[4-(2-pyridin-2-ylethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62455746
2-methyl-N-[[4-(oxan-4-ylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62486890
N-[[2-ethyl-6-(2-methylpentoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103285465

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(2-methylpentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-(2-methylpentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (CID 103285606) is 2-methyl-N-[[4-(2-methylpentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-(2-methylpentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-(2-methylpentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is CCCC(C)COCc1csc(CNC(C)(C)C)n1.
What is the InChIKey of 2-methyl-N-[[4-(2-methylpentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The InChIKey is XKZRUTNLKBZDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-6-7-12(2)9-18-10-13-11-19-14(17-13)8-16-15(3,4)5/h11-12,16H,6-10H2,1-5H3.
What are the key properties of 2-methyl-N-[[4-(2-methylpentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[4-(2-methylpentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine has a molecular weight of 284.47 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(2-methylpentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 103285606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).