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

C15H20N2O3S — CID 60727820

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4,5-trimethoxyaniline
SMILESCCc1nc(CNc2cc(OC)c(OC)c(OC)c2)cs1
InChIInChI=1S/C15H20N2O3S/c1-5-14-17-11(9-21-14)8-16-10-6-12(18-2)15(20-4)13(7-10)19-3/h6-7,9,16H,5,8H2,1-4H3
InChIKeyFMCGLZULUJIIHR-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.34
Rot. Bonds7

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

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4,5-trimethoxyaniline (PubChem CID 60727820) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4,5-trimethoxyaniline.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4,5-trimethoxyaniline
PubChem CID60727820
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4,5-trimethoxyaniline
SMILESCCc1nc(CNc2cc(OC)c(OC)c(OC)c2)cs1
InChIInChI=1S/C15H20N2O3S/c1-5-14-17-11(9-21-14)8-16-10-6-12(18-2)15(20-4)13(7-10)19-3/h6-7,9,16H,5,8H2,1-4H3
InChIKeyFMCGLZULUJIIHR-UHFFFAOYSA-N
XLogP3.34
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methoxyaniline
CID 107266062
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 95180733
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111832942
3,4,5-trimethoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663833
3-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline
CID 60727503
1-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 55034636
3-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)aniline
CID 116699387
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 47871223
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazol-4-amine
CID 78921412
3-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-fluoroaniline
CID 115280365
2,4,5-trichloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline
CID 62070827
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,3,5,6-tetrafluoroaniline
CID 107644497

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4,5-trimethoxyaniline?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4,5-trimethoxyaniline (CID 60727820) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4,5-trimethoxyaniline.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4,5-trimethoxyaniline?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4,5-trimethoxyaniline is CCc1nc(CNc2cc(OC)c(OC)c(OC)c2)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4,5-trimethoxyaniline?
The InChIKey is FMCGLZULUJIIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-5-14-17-11(9-21-14)8-16-10-6-12(18-2)15(20-4)13(7-10)19-3/h6-7,9,16H,5,8H2,1-4H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4,5-trimethoxyaniline?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4,5-trimethoxyaniline has a molecular weight of 308.40 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4,5-trimethoxyaniline is sourced from PubChem (CID 60727820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).