2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)acetic acid

C17H14N2O2S — CID 950344

IUPAC2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1sc(Nc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C17H14N2O2S/c20-15(21)11-14-16(12-7-3-1-4-8-12)19-17(22-14)18-13-9-5-2-6-10-13/h1-10H,11H2,(H,18,19)(H,20,21)
InChIKeyPXJWQRNWNJPWPS-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.18
Rot. Bonds5

About 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)acetic acid

2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)acetic acid (PubChem CID 950344) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)acetic acid
PubChem CID950344
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1sc(Nc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C17H14N2O2S/c20-15(21)11-14-16(12-7-3-1-4-8-12)19-17(22-14)18-13-9-5-2-6-10-13/h1-10H,11H2,(H,18,19)(H,20,21)
InChIKeyPXJWQRNWNJPWPS-UHFFFAOYSA-N
XLogP4.18
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)acetic acid (CID 950344) is 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)acetic acid is O=C(O)Cc1sc(Nc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)acetic acid?
The InChIKey is PXJWQRNWNJPWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c20-15(21)11-14-16(12-7-3-1-4-8-12)19-17(22-14)18-13-9-5-2-6-10-13/h1-10H,11H2,(H,18,19)(H,20,21).
What are the key properties of 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)acetic acid?
2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)acetic acid has a molecular weight of 310.38 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)acetic acid is sourced from PubChem (CID 950344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).