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

C14H18N2OS — CID 115878963

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCOCc1ccccc1CNC(C)c1cscn1
InChIInChI=1S/C14H18N2OS/c1-11(14-9-18-10-16-14)15-7-12-5-3-4-6-13(12)8-17-2/h3-6,9-11,15H,7-8H2,1-2H3
InChIKeyKGSJZWYGQLPLSW-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.14
Rot. Bonds6

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

N-[[2-(methoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine (PubChem CID 115878963) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
PubChem CID115878963
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCOCc1ccccc1CNC(C)c1cscn1
InChIInChI=1S/C14H18N2OS/c1-11(14-9-18-10-16-14)15-7-12-5-3-4-6-13(12)8-17-2/h3-6,9-11,15H,7-8H2,1-2H3
InChIKeyKGSJZWYGQLPLSW-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115878966
2-(methoxymethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115928988
N-[(3-methyl-4-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 114699058
N-[(2-methyl-3-nitrophenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 103114749
N-[(4-propan-2-ylphenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879113
N-[(4-bromophenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879170
N-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115895297
1-(1,3-thiazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 115878914
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 79236645
N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861778
1-(1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 115879082
N-(cyclopenta-1,4-dien-1-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 91928159

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine (CID 115878963) is N-[[2-(methoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine is COCc1ccccc1CNC(C)c1cscn1.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is KGSJZWYGQLPLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11(14-9-18-10-16-14)15-7-12-5-3-4-6-13(12)8-17-2/h3-6,9-11,15H,7-8H2,1-2H3.
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine?
N-[[2-(methoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 262.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 115878963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).