N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine

C15H29N3OS — CID 62426511

IUPACN-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCN(Cc1csc(CNCC(C)C)n1)C(C)COC
InChIInChI=1S/C15H29N3OS/c1-6-18(13(4)10-19-5)9-14-11-20-15(17-14)8-16-7-12(2)3/h11-13,16H,6-10H2,1-5H3
InChIKeyXFJMIQJGMVMETP-UHFFFAOYSA-N
MW299.48 g/mol
LogP2.75
Rot. Bonds10

About N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine

N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62426511) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID62426511
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC NameN-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCN(Cc1csc(CNCC(C)C)n1)C(C)COC
InChIInChI=1S/C15H29N3OS/c1-6-18(13(4)10-19-5)9-14-11-20-15(17-14)8-16-7-12(2)3/h11-13,16H,6-10H2,1-5H3
InChIKeyXFJMIQJGMVMETP-UHFFFAOYSA-N
XLogP2.75
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62429112
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-1-methoxypropan-2-amine
CID 66390563
N-[[4-[3-(2-methoxyethoxy)propoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 103406187
N-[[4-[2-(dimethylamino)ethoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62459461
1-methoxy-N-methyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 55074026
N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]aniline
CID 62439248
N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 55074027
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107402089
N-[[4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62461115
N-(2-methoxyethyl)-2-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 62430675
2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62422465
2-methyl-N-[[4-(pent-4-enoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 79113130

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (CID 62426511) is N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is CCN(Cc1csc(CNCC(C)C)n1)C(C)COC.
What is the InChIKey of N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is XFJMIQJGMVMETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-6-18(13(4)10-19-5)9-14-11-20-15(17-14)8-16-7-12(2)3/h11-13,16H,6-10H2,1-5H3.
What are the key properties of N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62426511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).