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

C17H24N2OS — CID 62486609

IUPACN-[[4-[(2-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1ccccc1OCc1csc(CNCC(C)C)n1
InChIInChI=1S/C17H24N2OS/c1-4-14-7-5-6-8-16(14)20-11-15-12-21-17(19-15)10-18-9-13(2)3/h5-8,12-13,18H,4,9-11H2,1-3H3
InChIKeyYZXUVKMLJPIXLQ-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.03
Rot. Bonds8

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

N-[[4-[(2-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62486609) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[4-[(2-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[(2-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID62486609
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[[4-[(2-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1ccccc1OCc1csc(CNCC(C)C)n1
InChIInChI=1S/C17H24N2OS/c1-4-14-7-5-6-8-16(14)20-11-15-12-21-17(19-15)10-18-9-13(2)3/h5-8,12-13,18H,4,9-11H2,1-3H3
InChIKeyYZXUVKMLJPIXLQ-UHFFFAOYSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 42837275
N-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62459083
N-[[4-[(2-chloro-5-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62485876
2-methyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63058001
N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 82516475
N-[[4-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 107661200
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487340
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107695414
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]propan-2-amine
CID 107700884
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 61487424
N-[[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63057157
N-[[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63058170

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[(2-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (CID 62486609) is N-[[4-[(2-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[(2-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[(2-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is CCc1ccccc1OCc1csc(CNCC(C)C)n1.
What is the InChIKey of N-[[4-[(2-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is YZXUVKMLJPIXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-4-14-7-5-6-8-16(14)20-11-15-12-21-17(19-15)10-18-9-13(2)3/h5-8,12-13,18H,4,9-11H2,1-3H3.
What are the key properties of N-[[4-[(2-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[4-[(2-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62486609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).