N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine

C16H22N2O2S — CID 82424083

IUPACN-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOc1ccc(OCCc2ncc(CNC(C)C)s2)cc1
InChIInChI=1S/C16H22N2O2S/c1-12(2)17-10-15-11-18-16(21-15)8-9-20-14-6-4-13(19-3)5-7-14/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeyDTZMJYFSOODKDH-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.27
Rot. Bonds8

About N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 82424083) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID82424083
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOc1ccc(OCCc2ncc(CNC(C)C)s2)cc1
InChIInChI=1S/C16H22N2O2S/c1-12(2)17-10-15-11-18-16(21-15)8-9-20-14-6-4-13(19-3)5-7-14/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeyDTZMJYFSOODKDH-UHFFFAOYSA-N
XLogP3.27
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424084
N-[[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82423927
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193942
N-[[2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82423969
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82423991
1-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82191088
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191156
N-[[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191171
N-[[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82424071
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82423990
[2-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82434850
N-[[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82425037

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 82424083) is N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is COc1ccc(OCCc2ncc(CNC(C)C)s2)cc1.
What is the InChIKey of N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is DTZMJYFSOODKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-12(2)17-10-15-11-18-16(21-15)8-9-20-14-6-4-13(19-3)5-7-14/h4-7,11-12,17H,8-10H2,1-3H3.
What are the key properties of N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 306.43 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 82424083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).