2-[4-[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid

C20H15N3O2S — CID 71624962

IUPAC2-[4-[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3sccc23)cc1
InChIInChI=1S/C20H15N3O2S/c24-17(25)12-13-6-8-15(9-7-13)21-19-16-10-11-26-20(16)23-18(22-19)14-4-2-1-3-5-14/h1-11H,12H2,(H,24,25)(H,21,22,23)
InChIKeyPFQKDDOXZWAJTG-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.73
Rot. Bonds5

About 2-[4-[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid

2-[4-[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid (PubChem CID 71624962) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 2-[4-[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid
PubChem CID71624962
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name2-[4-[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3sccc23)cc1
InChIInChI=1S/C20H15N3O2S/c24-17(25)12-13-6-8-15(9-7-13)21-19-16-10-11-26-20(16)23-18(22-19)14-4-2-1-3-5-14/h1-11H,12H2,(H,24,25)(H,21,22,23)
InChIKeyPFQKDDOXZWAJTG-UHFFFAOYSA-N
XLogP4.73
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid (CID 71624962) is 2-[4-[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid is O=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3sccc23)cc1.
What is the InChIKey of 2-[4-[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid?
The InChIKey is PFQKDDOXZWAJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c24-17(25)12-13-6-8-15(9-7-13)21-19-16-10-11-26-20(16)23-18(22-19)14-4-2-1-3-5-14/h1-11H,12H2,(H,24,25)(H,21,22,23).
What are the key properties of 2-[4-[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid?
2-[4-[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid has a molecular weight of 361.43 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid is sourced from PubChem (CID 71624962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).