3-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one

C18H13N3OS — CID 10149743

IUPAC3-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESNc1ccc(-c2nc(-c3cc4ccccc4[nH]c3=O)cs2)cc1
InChIInChI=1S/C18H13N3OS/c19-13-7-5-11(6-8-13)18-21-16(10-23-18)14-9-12-3-1-2-4-15(12)20-17(14)22/h1-10H,19H2,(H,20,22)
InChIKeyTTYXOSBLVBJYMI-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.90
Rot. Bonds2

About 3-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one

3-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (PubChem CID 10149743) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
PubChem CID10149743
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC Name3-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESNc1ccc(-c2nc(-c3cc4ccccc4[nH]c3=O)cs2)cc1
InChIInChI=1S/C18H13N3OS/c19-13-7-5-11(6-8-13)18-21-16(10-23-18)14-9-12-3-1-2-4-15(12)20-17(14)22/h1-10H,19H2,(H,20,22)
InChIKeyTTYXOSBLVBJYMI-UHFFFAOYSA-N
XLogP3.90
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (CID 10149743) is 3-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is Nc1ccc(-c2nc(-c3cc4ccccc4[nH]c3=O)cs2)cc1.
What is the InChIKey of 3-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The InChIKey is TTYXOSBLVBJYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c19-13-7-5-11(6-8-13)18-21-16(10-23-18)14-9-12-3-1-2-4-15(12)20-17(14)22/h1-10H,19H2,(H,20,22).
What are the key properties of 3-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
3-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one has a molecular weight of 319.39 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 10149743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).