1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine

C14H18N2OS — CID 54896552

IUPAC1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCOCc1cccc(CNCc2csc(C)n2)c1
InChIInChI=1S/C14H18N2OS/c1-11-16-14(10-18-11)8-15-7-12-4-3-5-13(6-12)9-17-2/h3-6,10,15H,7-9H2,1-2H3
InChIKeyWJZQCGLFXBRZQA-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.89
Rot. Bonds6

About 1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine

1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 54896552) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID54896552
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCOCc1cccc(CNCc2csc(C)n2)c1
InChIInChI=1S/C14H18N2OS/c1-11-16-14(10-18-11)8-15-7-12-4-3-5-13(6-12)9-17-2/h3-6,10,15H,7-9H2,1-2H3
InChIKeyWJZQCGLFXBRZQA-UHFFFAOYSA-N
XLogP2.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 55031559
1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63001689
1-(3-chloro-4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 65021948
N-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine
CID 54896746
N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 60960976
N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 61003276
1-(4-iodophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 65479206
1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60664468
1-[3-(methoxymethyl)phenyl]-N-(1,2-oxazol-4-ylmethyl)methanamine
CID 54896316
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 102834709
N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 103398948
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (CID 54896552) is 1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is COCc1cccc(CNCc2csc(C)n2)c1.
What is the InChIKey of 1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is WJZQCGLFXBRZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11-16-14(10-18-11)8-15-7-12-4-3-5-13(6-12)9-17-2/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of 1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 262.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 54896552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).