2-methoxy-5-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol

C12H14N2O2S — CID 61280570

IUPAC2-methoxy-5-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol
SMILESCNCc1cnc(-c2ccc(OC)c(O)c2)s1
InChIInChI=1S/C12H14N2O2S/c1-13-6-9-7-14-12(17-9)8-3-4-11(16-2)10(15)5-8/h3-5,7,13,15H,6H2,1-2H3
InChIKeyIDEKMSQIOHKTQK-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.24
Rot. Bonds4

About 2-methoxy-5-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol

2-methoxy-5-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol (PubChem CID 61280570) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-methoxy-5-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol
PubChem CID61280570
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-methoxy-5-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol
SMILESCNCc1cnc(-c2ccc(OC)c(O)c2)s1
InChIInChI=1S/C12H14N2O2S/c1-13-6-9-7-14-12(17-9)8-3-4-11(16-2)10(15)5-8/h3-5,7,13,15H,6H2,1-2H3
InChIKeyIDEKMSQIOHKTQK-UHFFFAOYSA-N
XLogP2.24
TPSA54.38 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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol?
The IUPAC name of 2-methoxy-5-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol (CID 61280570) is 2-methoxy-5-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 2-methoxy-5-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol is CNCc1cnc(-c2ccc(OC)c(O)c2)s1.
What is the InChIKey of 2-methoxy-5-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol?
The InChIKey is IDEKMSQIOHKTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-13-6-9-7-14-12(17-9)8-3-4-11(16-2)10(15)5-8/h3-5,7,13,15H,6H2,1-2H3.
What are the key properties of 2-methoxy-5-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol?
2-methoxy-5-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol has a molecular weight of 250.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 61280570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).