1-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine

C13H16N2OS — CID 20982880

IUPAC1-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESCc1ccccc1OCc1nc(C(C)N)cs1
InChIInChI=1S/C13H16N2OS/c1-9-5-3-4-6-12(9)16-7-13-15-11(8-17-13)10(2)14/h3-6,8,10H,7,14H2,1-2H3
InChIKeyYXIWDYVKDGLQRJ-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.05
Rot. Bonds4

About 1-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine

1-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 20982880) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
PubChem CID20982880
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESCc1ccccc1OCc1nc(C(C)N)cs1
InChIInChI=1S/C13H16N2OS/c1-9-5-3-4-6-12(9)16-7-13-15-11(8-17-13)10(2)14/h3-6,8,10H,7,14H2,1-2H3
InChIKeyYXIWDYVKDGLQRJ-UHFFFAOYSA-N
XLogP3.05
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.05
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
2-amino-3-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]propanoic acid
CID 82021609
1-[2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine
CID 66096565
2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole
CID 60645457
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 46009379
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 46009384
(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethanamine
CID 51898160
N-butan-2-yl-2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46009415
[4-methyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 28813835
1-[2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 83969721
1-butan-2-yl-3-tert-butyl-1-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]urea
CID 46009736
1-[(2R)-butan-2-yl]-1-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea
CID 93166017

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine (CID 20982880) is 1-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine is Cc1ccccc1OCc1nc(C(C)N)cs1.
What is the InChIKey of 1-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is YXIWDYVKDGLQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-5-3-4-6-12(9)16-7-13-15-11(8-17-13)10(2)14/h3-6,8,10H,7,14H2,1-2H3.
What are the key properties of 1-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine?
1-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 248.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 20982880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).