[4-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine

C13H16N2O2S — CID 55077570

IUPAC[4-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine
SMILESCOc1ccc(COCc2csc(CN)n2)cc1
InChIInChI=1S/C13H16N2O2S/c1-16-12-4-2-10(3-5-12)7-17-8-11-9-18-13(6-14)15-11/h2-5,9H,6-8,14H2,1H3
InChIKeyMHJPRIGGUWYRQX-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.33
Rot. Bonds6

About [4-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine

[4-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 55077570) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine
PubChem CID55077570
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name[4-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine
SMILESCOc1ccc(COCc2csc(CN)n2)cc1
InChIInChI=1S/C13H16N2O2S/c1-16-12-4-2-10(3-5-12)7-17-8-11-9-18-13(6-14)15-11/h2-5,9H,6-8,14H2,1H3
InChIKeyMHJPRIGGUWYRQX-UHFFFAOYSA-N
XLogP2.33
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62445438
[4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 62548421
[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine
CID 82831486
[4-(furan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62443694
2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol
CID 94268207
[4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 62484343
5-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-amine
CID 79775250
N-[[4-[(4-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 65125120
N-[[4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62444643
[4-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 83134833
[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine
CID 62452340
methane;O-[(4-methoxyphenyl)methyl]hydroxylamine
CID 142048761

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine (CID 55077570) is [4-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine is COc1ccc(COCc2csc(CN)n2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is MHJPRIGGUWYRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-16-12-4-2-10(3-5-12)7-17-8-11-9-18-13(6-14)15-11/h2-5,9H,6-8,14H2,1H3.
What are the key properties of [4-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine?
[4-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 264.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 55077570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).