[2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine

C12H14N2O2S — CID 95461249

IUPAC[2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCOc1cccc(OCc2ncc(CN)s2)c1
InChIInChI=1S/C12H14N2O2S/c1-15-9-3-2-4-10(5-9)16-8-12-14-7-11(6-13)17-12/h2-5,7H,6,8,13H2,1H3
InChIKeyXJBCBHACGMKTHD-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.19
Rot. Bonds5

About [2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine

[2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 95461249) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is [2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
PubChem CID95461249
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name[2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCOc1cccc(OCc2ncc(CN)s2)c1
InChIInChI=1S/C12H14N2O2S/c1-15-9-3-2-4-10(5-9)16-8-12-14-7-11(6-13)17-12/h2-5,7H,6,8,13H2,1H3
InChIKeyXJBCBHACGMKTHD-UHFFFAOYSA-N
XLogP2.19
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methoxyphenoxy)methyl]-5-methyl-1,3-thiazole
CID 117188251
5-bromo-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole
CID 117188254
N-[[2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82423142
2-chloro-5-[(3-methoxyphenoxy)methyl]-1,3-thiazole
CID 79764226
[4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82440577
2-[2-[(3-bromophenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 94721332
5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 55113856
2-[2-(phenoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 94686224
2,5-bis(phenoxymethyl)-1,3-thiazole
CID 90704535
2-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82422772
[2-[(3-methoxyphenoxy)methyl]-1-benzothiophen-4-yl]methanamine
CID 117172724
N-[[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82424071

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine (CID 95461249) is [2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine is COc1cccc(OCc2ncc(CN)s2)c1.
What is the InChIKey of [2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is XJBCBHACGMKTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-15-9-3-2-4-10(5-9)16-8-12-14-7-11(6-13)17-12/h2-5,7H,6,8,13H2,1H3.
What are the key properties of [2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
[2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 250.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 95461249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).