[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine

C13H16N2O2S — CID 82516227

IUPAC[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
SMILESCOc1cccc(OCCc2nc(CN)cs2)c1
InChIInChI=1S/C13H16N2O2S/c1-16-11-3-2-4-12(7-11)17-6-5-13-15-10(8-14)9-18-13/h2-4,7,9H,5-6,8,14H2,1H3
InChIKeyBGYUAXFCBSQGBO-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.23
Rot. Bonds6

About [2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine

[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine (PubChem CID 82516227) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is [2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
PubChem CID82516227
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
SMILESCOc1cccc(OCCc2nc(CN)cs2)c1
InChIInChI=1S/C13H16N2O2S/c1-16-11-3-2-4-12(7-11)17-6-5-13-15-10(8-14)9-18-13/h2-4,7,9H,5-6,8,14H2,1H3
InChIKeyBGYUAXFCBSQGBO-UHFFFAOYSA-N
XLogP2.23
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82104681
[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82104670
[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol
CID 82516213
[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol
CID 82516432
1-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 82193897
2-(2-aminoethyl)-N-[3-(3-methoxyphenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120635005
2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
CID 28918290
4-(chloromethyl)-2-[3-(3-methylphenoxy)propyl]-1,3-thiazole
CID 43320168
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193942
3-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]ethoxy]aniline
CID 82163148
[2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-4-yl]methanol
CID 82154533
2-[2-[2-(3-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 82154388

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine (CID 82516227) is [2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine is COc1cccc(OCCc2nc(CN)cs2)c1.
What is the InChIKey of [2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine?
The InChIKey is BGYUAXFCBSQGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-16-11-3-2-4-12(7-11)17-6-5-13-15-10(8-14)9-18-13/h2-4,7,9H,5-6,8,14H2,1H3.
What are the key properties of [2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine?
[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine has a molecular weight of 264.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 82516227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).