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

C24H20N2O2S — CID 69483817

IUPAC2-[[diphenyl-[3-(1,3-thiazol-5-yl)phenyl]methyl]amino]acetic acid
SMILESO=C(O)CNC(c1ccccc1)(c1ccccc1)c1cccc(-c2cncs2)c1
InChIInChI=1S/C24H20N2O2S/c27-23(28)16-26-24(19-9-3-1-4-10-19,20-11-5-2-6-12-20)21-13-7-8-18(14-21)22-15-25-17-29-22/h1-15,17,26H,16H2,(H,27,28)
InChIKeyMPUXDNCFIQNXTI-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.78
Rot. Bonds7

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

2-[[diphenyl-[3-(1,3-thiazol-5-yl)phenyl]methyl]amino]acetic acid (PubChem CID 69483817) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-[[diphenyl-[3-(1,3-thiazol-5-yl)phenyl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[diphenyl-[3-(1,3-thiazol-5-yl)phenyl]methyl]amino]acetic acid
PubChem CID69483817
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Name2-[[diphenyl-[3-(1,3-thiazol-5-yl)phenyl]methyl]amino]acetic acid
SMILESO=C(O)CNC(c1ccccc1)(c1ccccc1)c1cccc(-c2cncs2)c1
InChIInChI=1S/C24H20N2O2S/c27-23(28)16-26-24(19-9-3-1-4-10-19,20-11-5-2-6-12-20)21-13-7-8-18(14-21)22-15-25-17-29-22/h1-15,17,26H,16H2,(H,27,28)
InChIKeyMPUXDNCFIQNXTI-UHFFFAOYSA-N
XLogP4.78
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[diphenyl-[3-(1,3-thiazol-5-yl)phenyl]methyl]amino]acetic acid?
The IUPAC name of 2-[[diphenyl-[3-(1,3-thiazol-5-yl)phenyl]methyl]amino]acetic acid (CID 69483817) is 2-[[diphenyl-[3-(1,3-thiazol-5-yl)phenyl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[[diphenyl-[3-(1,3-thiazol-5-yl)phenyl]methyl]amino]acetic acid?
The canonical SMILES for 2-[[diphenyl-[3-(1,3-thiazol-5-yl)phenyl]methyl]amino]acetic acid is O=C(O)CNC(c1ccccc1)(c1ccccc1)c1cccc(-c2cncs2)c1.
What is the InChIKey of 2-[[diphenyl-[3-(1,3-thiazol-5-yl)phenyl]methyl]amino]acetic acid?
The InChIKey is MPUXDNCFIQNXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c27-23(28)16-26-24(19-9-3-1-4-10-19,20-11-5-2-6-12-20)21-13-7-8-18(14-21)22-15-25-17-29-22/h1-15,17,26H,16H2,(H,27,28).
What are the key properties of 2-[[diphenyl-[3-(1,3-thiazol-5-yl)phenyl]methyl]amino]acetic acid?
2-[[diphenyl-[3-(1,3-thiazol-5-yl)phenyl]methyl]amino]acetic acid has a molecular weight of 400.50 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[diphenyl-[3-(1,3-thiazol-5-yl)phenyl]methyl]amino]acetic acid is sourced from PubChem (CID 69483817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).