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

C12H14N2OS — CID 28780822

IUPAC2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCOc1ccccc1NCc1csc(C)n1
InChIInChI=1S/C12H14N2OS/c1-9-14-10(8-16-9)7-13-11-5-3-4-6-12(11)15-2/h3-6,8,13H,7H2,1-2H3
InChIKeyBNVCAUQXOWYJPH-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.07
Rot. Bonds4

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

2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 28780822) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID28780822
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCOc1ccccc1NCc1csc(C)n1
InChIInChI=1S/C12H14N2OS/c1-9-14-10(8-16-9)7-13-11-5-3-4-6-12(11)15-2/h3-6,8,13H,7H2,1-2H3
InChIKeyBNVCAUQXOWYJPH-UHFFFAOYSA-N
XLogP3.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-amine
CID 82476196
2-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 54865790
N-(2-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29453114
3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 115868240
2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 61281093
2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28878584
2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28781106
(1R)-1-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781229
2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780978
2-[4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 9027489
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29454557
1-(2-methoxyphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111041271

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (CID 28780822) is 2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is COc1ccccc1NCc1csc(C)n1.
What is the InChIKey of 2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is BNVCAUQXOWYJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-9-14-10(8-16-9)7-13-11-5-3-4-6-12(11)15-2/h3-6,8,13H,7H2,1-2H3.
What are the key properties of 2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 234.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 28780822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).