4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chloro-5-fluorophenol

C15H10ClFN2OS — CID 137335223

IUPAC4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chloro-5-fluorophenol
SMILESNc1nc(-c2ccc(-c3cc(Cl)c(O)cc3F)cc2)cs1
InChIInChI=1S/C15H10ClFN2OS/c16-11-5-10(12(17)6-14(11)20)8-1-3-9(4-2-8)13-7-21-15(18)19-13/h1-7,20H,(H2,18,19)
InChIKeyKXOIPQGSCYWMGC-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.56
Rot. Bonds2

About 4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chloro-5-fluorophenol

4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chloro-5-fluorophenol (PubChem CID 137335223) has the molecular formula C15H10ClFN2OS and a molecular weight of 320.78 g/mol. Its IUPAC name is 4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chloro-5-fluorophenol.

Molecular Properties

Compound Name4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chloro-5-fluorophenol
PubChem CID137335223
Molecular FormulaC15H10ClFN2OS
Molecular Weight320.78 g/mol
Exact Mass320.02
IUPAC Name4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chloro-5-fluorophenol
SMILESNc1nc(-c2ccc(-c3cc(Cl)c(O)cc3F)cc2)cs1
InChIInChI=1S/C15H10ClFN2OS/c16-11-5-10(12(17)6-14(11)20)8-1-3-9(4-2-8)13-7-21-15(18)19-13/h1-7,20H,(H2,18,19)
InChIKeyKXOIPQGSCYWMGC-UHFFFAOYSA-N
XLogP4.56
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chloro-5-fluorophenol with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-5-fluoro-4-thiophen-3-ylphenol
CID 130507254
4-[4-(3,4-dichlorophenoxy)phenyl]-1,3-thiazol-2-amine
CID 10404792
2-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 138377814
4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 704237
4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine
CID 80717940
4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3-thiazol-2-amine
CID 28856570
4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-amine
CID 91362030
4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 58046583
4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine
CID 2756846
2-(4-aminophenyl)-4-chloro-5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 150886368
2-(2-amino-1,3-thiazol-4-yl)benzene-1,4-diol
CID 13437302
4-(3,4-dichlorophenyl)-2-[4-(2,5-difluorophenyl)phenyl]-1,3-thiazole
CID 89454701

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chloro-5-fluorophenol?
The IUPAC name of 4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chloro-5-fluorophenol (CID 137335223) is 4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chloro-5-fluorophenol.
What is the SMILES notation for 4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chloro-5-fluorophenol?
The canonical SMILES for 4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chloro-5-fluorophenol is Nc1nc(-c2ccc(-c3cc(Cl)c(O)cc3F)cc2)cs1.
What is the InChIKey of 4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chloro-5-fluorophenol?
The InChIKey is KXOIPQGSCYWMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2OS/c16-11-5-10(12(17)6-14(11)20)8-1-3-9(4-2-8)13-7-21-15(18)19-13/h1-7,20H,(H2,18,19).
What are the key properties of 4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chloro-5-fluorophenol?
4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chloro-5-fluorophenol has a molecular weight of 320.78 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chloro-5-fluorophenol is sourced from PubChem (CID 137335223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).