5-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-amine

C12H14N2O2S — CID 79775250

IUPAC5-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(COCc2cnc(N)s2)cc1
InChIInChI=1S/C12H14N2O2S/c1-15-10-4-2-9(3-5-10)7-16-8-11-6-14-12(13)17-11/h2-6H,7-8H2,1H3,(H2,13,14)
InChIKeyQCAIYRWBLVASES-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.45
Rot. Bonds5

About 5-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-amine

5-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-amine (PubChem CID 79775250) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-amine
PubChem CID79775250
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name5-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(COCc2cnc(N)s2)cc1
InChIInChI=1S/C12H14N2O2S/c1-15-10-4-2-9(3-5-10)7-16-8-11-6-14-12(13)17-11/h2-6H,7-8H2,1H3,(H2,13,14)
InChIKeyQCAIYRWBLVASES-UHFFFAOYSA-N
XLogP2.45
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-amine (CID 79775250) is 5-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-amine is COc1ccc(COCc2cnc(N)s2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-amine?
The InChIKey is QCAIYRWBLVASES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-15-10-4-2-9(3-5-10)7-16-8-11-6-14-12(13)17-11/h2-6H,7-8H2,1H3,(H2,13,14).
What are the key properties of 5-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-amine?
5-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-amine has a molecular weight of 250.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79775250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).