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

C15H9Cl2NOS — CID 21409060

IUPAC4-[2-chloro-5-(4-chlorophenyl)-1,3-thiazol-4-yl]phenol
SMILESOc1ccc(-c2nc(Cl)sc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H9Cl2NOS/c16-11-5-1-10(2-6-11)14-13(18-15(17)20-14)9-3-7-12(19)8-4-9/h1-8,19H
InChIKeyCOHISOYUFOKUKN-UHFFFAOYSA-N
MW322.22 g/mol
LogP5.49
Rot. Bonds2

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

4-[2-chloro-5-(4-chlorophenyl)-1,3-thiazol-4-yl]phenol (PubChem CID 21409060) has the molecular formula C15H9Cl2NOS and a molecular weight of 322.22 g/mol. Its IUPAC name is 4-[2-chloro-5-(4-chlorophenyl)-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name4-[2-chloro-5-(4-chlorophenyl)-1,3-thiazol-4-yl]phenol
PubChem CID21409060
Molecular FormulaC15H9Cl2NOS
Molecular Weight322.22 g/mol
Exact Mass320.98
IUPAC Name4-[2-chloro-5-(4-chlorophenyl)-1,3-thiazol-4-yl]phenol
SMILESOc1ccc(-c2nc(Cl)sc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H9Cl2NOS/c16-11-5-1-10(2-6-11)14-13(18-15(17)20-14)9-3-7-12(19)8-4-9/h1-8,19H
InChIKeyCOHISOYUFOKUKN-UHFFFAOYSA-N
XLogP5.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.22
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-5-(4-chlorophenyl)-1,3-thiazol-4-yl]phenol?
The IUPAC name of 4-[2-chloro-5-(4-chlorophenyl)-1,3-thiazol-4-yl]phenol (CID 21409060) is 4-[2-chloro-5-(4-chlorophenyl)-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 4-[2-chloro-5-(4-chlorophenyl)-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 4-[2-chloro-5-(4-chlorophenyl)-1,3-thiazol-4-yl]phenol is Oc1ccc(-c2nc(Cl)sc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2-chloro-5-(4-chlorophenyl)-1,3-thiazol-4-yl]phenol?
The InChIKey is COHISOYUFOKUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NOS/c16-11-5-1-10(2-6-11)14-13(18-15(17)20-14)9-3-7-12(19)8-4-9/h1-8,19H.
What are the key properties of 4-[2-chloro-5-(4-chlorophenyl)-1,3-thiazol-4-yl]phenol?
4-[2-chloro-5-(4-chlorophenyl)-1,3-thiazol-4-yl]phenol has a molecular weight of 322.22 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-5-(4-chlorophenyl)-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 21409060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).