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

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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).