4-[[5-[3-(2-chlorophenyl)-4-pyridinyl]-1,3-thiazol-2-yl]amino]phenol

C20H14ClN3OS — CID 122192497

IUPAC4-[[5-[3-(2-chlorophenyl)-4-pyridinyl]-1,3-thiazol-2-yl]amino]phenol
SMILESOc1ccc(Nc2ncc(-c3ccncc3-c3ccccc3Cl)s2)cc1
InChIInChI=1S/C20H14ClN3OS/c21-18-4-2-1-3-15(18)17-11-22-10-9-16(17)19-12-23-20(26-19)24-13-5-7-14(25)8-6-13/h1-12,25H,(H,23,24)
InChIKeySEZBMVMOFIKXMB-UHFFFAOYSA-N
MW379.87 g/mol
LogP5.97
Rot. Bonds4

About 4-[[5-[3-(2-chlorophenyl)-4-pyridinyl]-1,3-thiazol-2-yl]amino]phenol

4-[[5-[3-(2-chlorophenyl)-4-pyridinyl]-1,3-thiazol-2-yl]amino]phenol (PubChem CID 122192497) has the molecular formula C20H14ClN3OS and a molecular weight of 379.87 g/mol. Its IUPAC name is 4-[[5-[3-(2-chlorophenyl)-4-pyridinyl]-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[5-[3-(2-chlorophenyl)-4-pyridinyl]-1,3-thiazol-2-yl]amino]phenol
PubChem CID122192497
Molecular FormulaC20H14ClN3OS
Molecular Weight379.87 g/mol
Exact Mass379.05
IUPAC Name4-[[5-[3-(2-chlorophenyl)-4-pyridinyl]-1,3-thiazol-2-yl]amino]phenol
SMILESOc1ccc(Nc2ncc(-c3ccncc3-c3ccccc3Cl)s2)cc1
InChIInChI=1S/C20H14ClN3OS/c21-18-4-2-1-3-15(18)17-11-22-10-9-16(17)19-12-23-20(26-19)24-13-5-7-14(25)8-6-13/h1-12,25H,(H,23,24)
InChIKeySEZBMVMOFIKXMB-UHFFFAOYSA-N
XLogP5.97
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.87
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[3-(2-chlorophenyl)-4-pyridinyl]-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 4-[[5-[3-(2-chlorophenyl)-4-pyridinyl]-1,3-thiazol-2-yl]amino]phenol (CID 122192497) is 4-[[5-[3-(2-chlorophenyl)-4-pyridinyl]-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-[[5-[3-(2-chlorophenyl)-4-pyridinyl]-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 4-[[5-[3-(2-chlorophenyl)-4-pyridinyl]-1,3-thiazol-2-yl]amino]phenol is Oc1ccc(Nc2ncc(-c3ccncc3-c3ccccc3Cl)s2)cc1.
What is the InChIKey of 4-[[5-[3-(2-chlorophenyl)-4-pyridinyl]-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is SEZBMVMOFIKXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3OS/c21-18-4-2-1-3-15(18)17-11-22-10-9-16(17)19-12-23-20(26-19)24-13-5-7-14(25)8-6-13/h1-12,25H,(H,23,24).
What are the key properties of 4-[[5-[3-(2-chlorophenyl)-4-pyridinyl]-1,3-thiazol-2-yl]amino]phenol?
4-[[5-[3-(2-chlorophenyl)-4-pyridinyl]-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 379.87 g/mol, XLogP of 5.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[3-(2-chlorophenyl)-4-pyridinyl]-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 122192497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).