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

C19H18N2O2S — CID 154876284

IUPAC2-[3-[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]phenyl]acetic acid
SMILESCN(Cc1ncc(-c2ccccc2)s1)c1cccc(CC(=O)O)c1
InChIInChI=1S/C19H18N2O2S/c1-21(16-9-5-6-14(10-16)11-19(22)23)13-18-20-12-17(24-18)15-7-3-2-4-8-15/h2-10,12H,11,13H2,1H3,(H,22,23)
InChIKeyFGIYGTPZHFESPJ-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.07
Rot. Bonds6

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

2-[3-[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]phenyl]acetic acid (PubChem CID 154876284) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-[3-[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]phenyl]acetic acid
PubChem CID154876284
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name2-[3-[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]phenyl]acetic acid
SMILESCN(Cc1ncc(-c2ccccc2)s1)c1cccc(CC(=O)O)c1
InChIInChI=1S/C19H18N2O2S/c1-21(16-9-5-6-14(10-16)11-19(22)23)13-18-20-12-17(24-18)15-7-3-2-4-8-15/h2-10,12H,11,13H2,1H3,(H,22,23)
InChIKeyFGIYGTPZHFESPJ-UHFFFAOYSA-N
XLogP4.07
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]phenyl]acetic acid (CID 154876284) is 2-[3-[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]phenyl]acetic acid is CN(Cc1ncc(-c2ccccc2)s1)c1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]phenyl]acetic acid?
The InChIKey is FGIYGTPZHFESPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-21(16-9-5-6-14(10-16)11-19(22)23)13-18-20-12-17(24-18)15-7-3-2-4-8-15/h2-10,12H,11,13H2,1H3,(H,22,23).
What are the key properties of 2-[3-[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]phenyl]acetic acid?
2-[3-[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]phenyl]acetic acid has a molecular weight of 338.43 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]phenyl]acetic acid is sourced from PubChem (CID 154876284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).