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

C17H17ClN2OS — CID 143047554

IUPAC4-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol;ethane
SMILESCC.Oc1ccc(Nc2ncc(-c3ccccc3Cl)s2)cc1
InChIInChI=1S/C15H11ClN2OS.C2H6/c16-13-4-2-1-3-12(13)14-9-17-15(20-14)18-10-5-7-11(19)8-6-10;1-2/h1-9,19H,(H,17,18);1-2H3
InChIKeySMOUPVNGFQTPQG-UHFFFAOYSA-N
MW332.86 g/mol
LogP5.94
Rot. Bonds3

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

4-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol;ethane (PubChem CID 143047554) has the molecular formula C17H17ClN2OS and a molecular weight of 332.86 g/mol. Its IUPAC name is 4-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol;ethane.

Molecular Properties

Compound Name4-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol;ethane
PubChem CID143047554
Molecular FormulaC17H17ClN2OS
Molecular Weight332.86 g/mol
Exact Mass332.08
IUPAC Name4-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol;ethane
SMILESCC.Oc1ccc(Nc2ncc(-c3ccccc3Cl)s2)cc1
InChIInChI=1S/C15H11ClN2OS.C2H6/c16-13-4-2-1-3-12(13)14-9-17-15(20-14)18-10-5-7-11(19)8-6-10;1-2/h1-9,19H,(H,17,18);1-2H3
InChIKeySMOUPVNGFQTPQG-UHFFFAOYSA-N
XLogP5.94
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.86
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[5-[3-(2-chlorophenyl)-4-pyridinyl]-1,3-thiazol-2-yl]amino]phenol
CID 122192497
5-(2-chlorophenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 18506841
5-(2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 116811958
4-[(5-methyl-1,3-thiazol-2-yl)amino]phenol
CID 82059170
5-(2-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 18506878
2-chloro-N-[2-(4-methylanilino)-1,3-thiazol-5-yl]benzamide
CID 87520018
N-(3,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-amine
CID 11652687
5-[3-(2-chlorophenyl)-1-methylpyridin-1-ium-4-yl]-N-propyl-1,3-thiazol-2-amine
CID 144794166
4-[(2,5-dichloropyrimidin-4-yl)amino]phenol
CID 150084740
5-[2-(3-chloro-4-methylanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide
CID 5276252
5-(2-chloro-6-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 116811869
5-(4-bromo-2-chlorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 116811845

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol;ethane?
The IUPAC name of 4-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol;ethane (CID 143047554) is 4-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol;ethane.
What is the SMILES notation for 4-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol;ethane?
The canonical SMILES for 4-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol;ethane is CC.Oc1ccc(Nc2ncc(-c3ccccc3Cl)s2)cc1.
What is the InChIKey of 4-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol;ethane?
The InChIKey is SMOUPVNGFQTPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS.C2H6/c16-13-4-2-1-3-12(13)14-9-17-15(20-14)18-10-5-7-11(19)8-6-10;1-2/h1-9,19H,(H,17,18);1-2H3.
What are the key properties of 4-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol;ethane?
4-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol;ethane has a molecular weight of 332.86 g/mol, XLogP of 5.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol;ethane is sourced from PubChem (CID 143047554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).