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

C12H14N2OS — CID 60941546

IUPAC3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCOc1cccc(NCc2cnc(C)s2)c1
InChIInChI=1S/C12H14N2OS/c1-9-13-7-12(16-9)8-14-10-4-3-5-11(6-10)15-2/h3-7,14H,8H2,1-2H3
InChIKeyHVNKUKUHPMOEPB-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.07
Rot. Bonds4

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

3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 60941546) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID60941546
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCOc1cccc(NCc2cnc(C)s2)c1
InChIInChI=1S/C12H14N2OS/c1-9-13-7-12(16-9)8-14-10-4-3-5-11(6-10)15-2/h3-7,14H,8H2,1-2H3
InChIKeyHVNKUKUHPMOEPB-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

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Related Compounds

3-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60940843
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941535
N-[(2-methyl-1,3-thiazol-5-yl)methyl]naphthalen-2-amine
CID 60942096
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 54868850
2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole
CID 54868489
2-(3-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 86825840
3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(3-methoxyphenyl)benzamide
CID 168579725
3-methoxy-N-(pyrimidin-2-ylmethyl)aniline
CID 62698211
methyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxylate
CID 66285848
3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868679
1-(3-ethoxyphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86842157
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(6-methylpyrazin-2-yl)oxyaniline
CID 168583427

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (CID 60941546) is 3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is COc1cccc(NCc2cnc(C)s2)c1.
What is the InChIKey of 3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is HVNKUKUHPMOEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-9-13-7-12(16-9)8-14-10-4-3-5-11(6-10)15-2/h3-7,14H,8H2,1-2H3.
What are the key properties of 3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
3-methoxy-N-[(2-methyl-1,3-thiazol-5-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 3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 60941546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).