2-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]acetic acid

C14H16N2O2S — CID 115461723

IUPAC2-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]acetic acid
SMILESCc1ncc(CNCc2ccccc2CC(=O)O)s1
InChIInChI=1S/C14H16N2O2S/c1-10-16-9-13(19-10)8-15-7-12-5-3-2-4-11(12)6-14(17)18/h2-5,9,15H,6-8H2,1H3,(H,17,18)
InChIKeyLOAXZUJOLYOILX-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.37
Rot. Bonds6

About 2-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]acetic acid

2-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]acetic acid (PubChem CID 115461723) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]acetic acid
PubChem CID115461723
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]acetic acid
SMILESCc1ncc(CNCc2ccccc2CC(=O)O)s1
InChIInChI=1S/C14H16N2O2S/c1-10-16-9-13(19-10)8-15-7-12-5-3-2-4-11(12)6-14(17)18/h2-5,9,15H,6-8H2,1H3,(H,17,18)
InChIKeyLOAXZUJOLYOILX-UHFFFAOYSA-N
XLogP2.37
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzoate
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2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 78916971
2-fluoro-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenol
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2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1-benzofuran-3-carboxylic acid
CID 103243288
N-(2-methylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 61282011
2,2-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid
CID 79623536
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
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benzyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoate
CID 106483964
1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 60941890
(2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 93367091
1-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]acetic acid (CID 115461723) is 2-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]acetic acid is Cc1ncc(CNCc2ccccc2CC(=O)O)s1.
What is the InChIKey of 2-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]acetic acid?
The InChIKey is LOAXZUJOLYOILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-16-9-13(19-10)8-15-7-12-5-3-2-4-11(12)6-14(17)18/h2-5,9,15H,6-8H2,1H3,(H,17,18).
What are the key properties of 2-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]acetic acid?
2-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]acetic acid has a molecular weight of 276.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]acetic acid is sourced from PubChem (CID 115461723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).