1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine

C12H14N2OS — CID 46785061

IUPAC1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(-c2cccc(OC)c2)s1
InChIInChI=1S/C12H14N2OS/c1-13-8-12-14-7-11(16-12)9-4-3-5-10(6-9)15-2/h3-7,13H,8H2,1-2H3
InChIKeyANAPYOSXTOPZOA-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.54
Rot. Bonds4

About 1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine

1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine (PubChem CID 46785061) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
PubChem CID46785061
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(-c2cccc(OC)c2)s1
InChIInChI=1S/C12H14N2OS/c1-13-8-12-14-7-11(16-12)9-4-3-5-10(6-9)15-2/h3-7,13H,8H2,1-2H3
InChIKeyANAPYOSXTOPZOA-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 46785062
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53272487
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
CID 53272362
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53272467
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272372
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 53272457
2-(2,4-dichlorophenyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272468
2-chloro-5-(3-methoxyphenyl)-1,3-thiazole
CID 117259772
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272495
5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid
CID 46785031
2-[[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,1-dimethylhydrazine
CID 53272462
2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53271692

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine (CID 46785061) is 1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine is CNCc1ncc(-c2cccc(OC)c2)s1.
What is the InChIKey of 1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The InChIKey is ANAPYOSXTOPZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-13-8-12-14-7-11(16-12)9-4-3-5-10(6-9)15-2/h3-7,13H,8H2,1-2H3.
What are the key properties of 1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine has a molecular weight of 234.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 46785061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).