N-[[3-(methoxymethyl)phenyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine

C14H18N2OS — CID 65169697

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCOCc1cccc(CNc2nc(C)c(C)s2)c1
InChIInChI=1S/C14H18N2OS/c1-10-11(2)18-14(16-10)15-8-12-5-4-6-13(7-12)9-17-3/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyAICKMXOJAKFGQF-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.52
Rot. Bonds5

About N-[[3-(methoxymethyl)phenyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine

N-[[3-(methoxymethyl)phenyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 65169697) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID65169697
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCOCc1cccc(CNc2nc(C)c(C)s2)c1
InChIInChI=1S/C14H18N2OS/c1-10-11(2)18-14(16-10)15-8-12-5-4-6-13(7-12)9-17-3/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyAICKMXOJAKFGQF-UHFFFAOYSA-N
XLogP3.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine
CID 54896746
4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]phenol
CID 115691416
4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 62858640
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 9167847
N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 61226702
1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54896552
N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 61253758
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 102834709
1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720712
3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine
CID 106875542
3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile
CID 62672178
3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine
CID 113228936

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine (CID 65169697) is N-[[3-(methoxymethyl)phenyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine is COCc1cccc(CNc2nc(C)c(C)s2)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is AICKMXOJAKFGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-11(2)18-14(16-10)15-8-12-5-4-6-13(7-12)9-17-3/h4-7H,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
N-[[3-(methoxymethyl)phenyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.52, 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]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 65169697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).