2-methoxy-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline

C13H16N2OS — CID 64988281

IUPAC2-methoxy-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCOc1ccc(C)cc1NC(C)c1nccs1
InChIInChI=1S/C13H16N2OS/c1-9-4-5-12(16-3)11(8-9)15-10(2)13-14-6-7-17-13/h4-8,10,15H,1-3H3
InChIKeyVOCZJKBCLSTHFZ-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.63
Rot. Bonds4

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

2-methoxy-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 64988281) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
PubChem CID64988281
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-methoxy-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCOc1ccc(C)cc1NC(C)c1nccs1
InChIInChI=1S/C13H16N2OS/c1-9-4-5-12(16-3)11(8-9)15-10(2)13-14-6-7-17-13/h4-8,10,15H,1-3H3
InChIKeyVOCZJKBCLSTHFZ-UHFFFAOYSA-N
XLogP3.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988089
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585048
3-methoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 115923076
8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine
CID 99838885
2-methoxy-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43761105
4-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
CID 96824409
2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988333
N-[(3,4-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599693
2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
CID 96824348
2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol
CID 43193429
3-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 115928704
N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-methylaniline
CID 43110887

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 2-methoxy-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (CID 64988281) is 2-methoxy-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2-methoxy-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 2-methoxy-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is COc1ccc(C)cc1NC(C)c1nccs1.
What is the InChIKey of 2-methoxy-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is VOCZJKBCLSTHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-4-5-12(16-3)11(8-9)15-10(2)13-14-6-7-17-13/h4-8,10,15H,1-3H3.
What are the key properties of 2-methoxy-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
2-methoxy-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 248.35 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 64988281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).