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

C11H12N2OS — CID 61282920

IUPAC3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol
SMILESCNCc1cnc(-c2cccc(O)c2)s1
InChIInChI=1S/C11H12N2OS/c1-12-6-10-7-13-11(15-10)8-3-2-4-9(14)5-8/h2-5,7,12,14H,6H2,1H3
InChIKeyIOTHLEZNZDNPPC-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.24
Rot. Bonds3

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

3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol (PubChem CID 61282920) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol
PubChem CID61282920
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol
SMILESCNCc1cnc(-c2cccc(O)c2)s1
InChIInChI=1S/C11H12N2OS/c1-12-6-10-7-13-11(15-10)8-3-2-4-9(14)5-8/h2-5,7,12,14H,6H2,1H3
InChIKeyIOTHLEZNZDNPPC-UHFFFAOYSA-N
XLogP2.24
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]phenol
CID 115091792
1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 61280554
2-methoxy-5-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 61280570
N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61280364
1-[2-(6-methoxynaphthalen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 61280182
1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114887585
N-methyl-1-(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine
CID 81143716
(2R)-2-[[2-(3-chlorophenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
CID 166242585
3-[5-(5-methyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]phenol
CID 102707160
N-[[2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82422567
1-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62318685
2-methoxy-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82424209

Frequently Asked Questions

What is the IUPAC name of 3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol?
The IUPAC name of 3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol (CID 61282920) is 3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol is CNCc1cnc(-c2cccc(O)c2)s1.
What is the InChIKey of 3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol?
The InChIKey is IOTHLEZNZDNPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-12-6-10-7-13-11(15-10)8-3-2-4-9(14)5-8/h2-5,7,12,14H,6H2,1H3.
What are the key properties of 3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol?
3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol has a molecular weight of 220.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 61282920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).