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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Related Compounds

4-(4-(4-Chlorophenyl)-1,3-thiazol-2-YL)phenol
CID 1473815
4-[6-(4-Chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
CID 137175137
4-[2-Amino-5-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenol
CID 44440896
4-[5-Butyl-2-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-4-yl]phenol
CID 71452356
4-[4-(2,5-Dimethyl-1,3-thiazol-4-yl)phenyl]phenol
CID 134156850
4-Hydroxyfentiazac
CID 128907
2,6-Ditert-butyl-4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenol
CID 2742349
(2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-hydroxyphenyl)prop-2-enenitrile
CID 135472522
4-(2-Bromo-5-cyclopropyl-1,3-thiazol-4-yl)-3-fluorophenol
CID 167489335
4-[4-(4-Fluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol
CID 135569789
4-[4-(3,4-Difluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol
CID 135705063
4-[4-(2,4-Dichloro-5-fluorophenyl)-1,3-thiazol-2-yl]phenol
CID 136136350

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).