methyl 2-[4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]-2,6-dimethylphenoxy]acetate

C18H24N2O3S — CID 119125595

IUPACmethyl 2-[4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]-2,6-dimethylphenoxy]acetate
SMILESCCc1nc(CNCc2cc(C)c(OCC(=O)OC)c(C)c2)cs1
InChIInChI=1S/C18H24N2O3S/c1-5-16-20-15(11-24-16)9-19-8-14-6-12(2)18(13(3)7-14)23-10-17(21)22-4/h6-7,11,19H,5,8-10H2,1-4H3
InChIKeyULEJIBNAJBNSHF-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.16
Rot. Bonds8

About methyl 2-[4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]-2,6-dimethylphenoxy]acetate

methyl 2-[4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]-2,6-dimethylphenoxy]acetate (PubChem CID 119125595) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is methyl 2-[4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]-2,6-dimethylphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]-2,6-dimethylphenoxy]acetate
PubChem CID119125595
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Namemethyl 2-[4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]-2,6-dimethylphenoxy]acetate
SMILESCCc1nc(CNCc2cc(C)c(OCC(=O)OC)c(C)c2)cs1
InChIInChI=1S/C18H24N2O3S/c1-5-16-20-15(11-24-16)9-19-8-14-6-12(2)18(13(3)7-14)23-10-17(21)22-4/h6-7,11,19H,5,8-10H2,1-4H3
InChIKeyULEJIBNAJBNSHF-UHFFFAOYSA-N
XLogP3.16
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]-2,6-dimethylphenoxy]acetate with MolForge

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Related Compounds

4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylbenzoic acid
CID 61484277
1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 103629573
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
CID 115603266
methyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate
CID 60880238
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 55031559
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine
CID 61484586
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide
CID 43276717
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 60727164
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 55021494
N-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide
CID 43276736
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2-dimethylpropanamide;hydrochloride
CID 115592141
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine
CID 82738200

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]-2,6-dimethylphenoxy]acetate?
The IUPAC name of methyl 2-[4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]-2,6-dimethylphenoxy]acetate (CID 119125595) is methyl 2-[4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]-2,6-dimethylphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]-2,6-dimethylphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]-2,6-dimethylphenoxy]acetate is CCc1nc(CNCc2cc(C)c(OCC(=O)OC)c(C)c2)cs1.
What is the InChIKey of methyl 2-[4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]-2,6-dimethylphenoxy]acetate?
The InChIKey is ULEJIBNAJBNSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-5-16-20-15(11-24-16)9-19-8-14-6-12(2)18(13(3)7-14)23-10-17(21)22-4/h6-7,11,19H,5,8-10H2,1-4H3.
What are the key properties of methyl 2-[4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]-2,6-dimethylphenoxy]acetate?
methyl 2-[4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]-2,6-dimethylphenoxy]acetate has a molecular weight of 348.47 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]-2,6-dimethylphenoxy]acetate is sourced from PubChem (CID 119125595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).