4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol

C12H14N2O2S — CID 136889279

IUPAC4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol
SMILESCOCc1nc(-c2ccc(O)cc2)sc1CN
InChIInChI=1S/C12H14N2O2S/c1-16-7-10-11(6-13)17-12(14-10)8-2-4-9(15)5-3-8/h2-5,15H,6-7,13H2,1H3
InChIKeyWRHYFEYERDCNEA-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.12
Rot. Bonds4

About 4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol

4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol (PubChem CID 136889279) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol
PubChem CID136889279
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol
SMILESCOCc1nc(-c2ccc(O)cc2)sc1CN
InChIInChI=1S/C12H14N2O2S/c1-16-7-10-11(6-13)17-12(14-10)8-2-4-9(15)5-3-8/h2-5,15H,6-7,13H2,1H3
InChIKeyWRHYFEYERDCNEA-UHFFFAOYSA-N
XLogP2.12
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol?
The IUPAC name of 4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol (CID 136889279) is 4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol is COCc1nc(-c2ccc(O)cc2)sc1CN.
What is the InChIKey of 4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol?
The InChIKey is WRHYFEYERDCNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-16-7-10-11(6-13)17-12(14-10)8-2-4-9(15)5-3-8/h2-5,15H,6-7,13H2,1H3.
What are the key properties of 4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol?
4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol has a molecular weight of 250.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 136889279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).