N-[[4-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine

C16H22N2O2S — CID 114366170

IUPACN-[[4-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(Cc2cccc(OC)c2)nc1COC
InChIInChI=1S/C16H22N2O2S/c1-4-17-10-15-14(11-19-2)18-16(21-15)9-12-6-5-7-13(8-12)20-3/h5-8,17H,4,9-11H2,1-3H3
InChIKeyYCZZRCYTJCNENV-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.00
Rot. Bonds8

About N-[[4-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine

N-[[4-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114366170) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114366170
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[[4-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(Cc2cccc(OC)c2)nc1COC
InChIInChI=1S/C16H22N2O2S/c1-4-17-10-15-14(11-19-2)18-16(21-15)9-12-6-5-7-13(8-12)20-3/h5-8,17H,4,9-11H2,1-3H3
InChIKeyYCZZRCYTJCNENV-UHFFFAOYSA-N
XLogP3.00
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366259
N-[[4-(methoxymethyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440618
1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366014
N-[[2-[(4-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440542
N-[[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82430015
methyl 5-acetyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate
CID 106696485
1-[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440582
[4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82440577
methyl 2-[(3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 79017484
N-[[4-ethyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841471
N-[[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440531
N-[[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82428633

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine (CID 114366170) is N-[[4-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(Cc2cccc(OC)c2)nc1COC.
What is the InChIKey of N-[[4-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is YCZZRCYTJCNENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-4-17-10-15-14(11-19-2)18-16(21-15)9-12-6-5-7-13(8-12)20-3/h5-8,17H,4,9-11H2,1-3H3.
What are the key properties of N-[[4-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 306.43 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114366170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).