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

C13H16N2OS — CID 54896746

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOCc1cccc(CNc2nc(C)cs2)c1
InChIInChI=1S/C13H16N2OS/c1-10-9-17-13(15-10)14-7-11-4-3-5-12(6-11)8-16-2/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyNEPOEFLPUOQWKD-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.21
Rot. Bonds5

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

N-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 54896746) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID54896746
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOCc1cccc(CNc2nc(C)cs2)c1
InChIInChI=1S/C13H16N2OS/c1-10-9-17-13(15-10)14-7-11-4-3-5-12(6-11)8-16-2/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyNEPOEFLPUOQWKD-UHFFFAOYSA-N
XLogP3.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169697
N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 10728405
1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54896552
N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 61226702
4-[(3-methoxyphenyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 175901797
4-methyl-N-(2-phenylmethoxyethyl)-1,3-thiazol-2-amine
CID 131025758
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 55031559
4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 60723741
N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 60965953
N-[(5-bromothiophen-3-yl)methyl]-3-(methoxymethyl)aniline
CID 43672271
N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 61253758
4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 62858640

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine (CID 54896746) is N-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine is COCc1cccc(CNc2nc(C)cs2)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is NEPOEFLPUOQWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10-9-17-13(15-10)14-7-11-4-3-5-12(6-11)8-16-2/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine?
N-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 248.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 54896746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).