2-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline

C13H16N2OS — CID 54865790

IUPAC2-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCOc1cc(C)ccc1NCc1csc(C)n1
InChIInChI=1S/C13H16N2OS/c1-9-4-5-12(13(6-9)16-3)14-7-11-8-17-10(2)15-11/h4-6,8,14H,7H2,1-3H3
InChIKeyPZHWDGGSZWABGI-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.38
Rot. Bonds4

About 2-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline

2-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 54865790) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID54865790
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCOc1cc(C)ccc1NCc1csc(C)n1
InChIInChI=1S/C13H16N2OS/c1-9-4-5-12(13(6-9)16-3)14-7-11-8-17-10(2)15-11/h4-6,8,14H,7H2,1-3H3
InChIKeyPZHWDGGSZWABGI-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780822
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
2-methoxy-4-methyl-N-(thiophen-2-ylmethyl)aniline
CID 60932472
3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 115868240
6-[(2-methoxy-4-methylanilino)methyl]pyridin-3-ol
CID 79782889
1-(2-methoxy-4-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106791883
1-(3-chloro-4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 65021948
3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 43736143
2-methoxy-4-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 60931230
N-benzyl-2-methoxy-4-methylaniline
CID 54865649
4,6-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 62859987
4-bromo-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 43091215

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 2-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (CID 54865790) is 2-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 2-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is COc1cc(C)ccc1NCc1csc(C)n1.
What is the InChIKey of 2-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is PZHWDGGSZWABGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-4-5-12(13(6-9)16-3)14-7-11-8-17-10(2)15-11/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 2-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
2-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 248.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 54865790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).