4-(2-benzyl-1,3-thiazol-4-yl)-2,6-dichlorophenol

C16H11Cl2NOS — CID 22932379

IUPAC4-(2-benzyl-1,3-thiazol-4-yl)-2,6-dichlorophenol
SMILESOc1c(Cl)cc(-c2csc(Cc3ccccc3)n2)cc1Cl
InChIInChI=1S/C16H11Cl2NOS/c17-12-7-11(8-13(18)16(12)20)14-9-21-15(19-14)6-10-4-2-1-3-5-10/h1-5,7-9,20H,6H2
InChIKeyNSULKLOAUJNJPC-UHFFFAOYSA-N
MW336.24 g/mol
LogP5.41
Rot. Bonds3

About 4-(2-benzyl-1,3-thiazol-4-yl)-2,6-dichlorophenol

4-(2-benzyl-1,3-thiazol-4-yl)-2,6-dichlorophenol (PubChem CID 22932379) has the molecular formula C16H11Cl2NOS and a molecular weight of 336.24 g/mol. Its IUPAC name is 4-(2-benzyl-1,3-thiazol-4-yl)-2,6-dichlorophenol.

Molecular Properties

Compound Name4-(2-benzyl-1,3-thiazol-4-yl)-2,6-dichlorophenol
PubChem CID22932379
Molecular FormulaC16H11Cl2NOS
Molecular Weight336.24 g/mol
Exact Mass334.99
IUPAC Name4-(2-benzyl-1,3-thiazol-4-yl)-2,6-dichlorophenol
SMILESOc1c(Cl)cc(-c2csc(Cc3ccccc3)n2)cc1Cl
InChIInChI=1S/C16H11Cl2NOS/c17-12-7-11(8-13(18)16(12)20)14-9-21-15(19-14)6-10-4-2-1-3-5-10/h1-5,7-9,20H,6H2
InChIKeyNSULKLOAUJNJPC-UHFFFAOYSA-N
XLogP5.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.24
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-benzyl-1,3-thiazol-4-yl)phenol
CID 22054946
[3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152526
[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152013
4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol
CID 53391458
2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
CID 47173323
4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]benzoic acid
CID 58127866
4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79817502
methyl 4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]benzoate
CID 58127683
2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4566516
4-(3-bromophenyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole
CID 79831454
4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 84567479
4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
CID 159061814

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzyl-1,3-thiazol-4-yl)-2,6-dichlorophenol?
The IUPAC name of 4-(2-benzyl-1,3-thiazol-4-yl)-2,6-dichlorophenol (CID 22932379) is 4-(2-benzyl-1,3-thiazol-4-yl)-2,6-dichlorophenol.
What is the SMILES notation for 4-(2-benzyl-1,3-thiazol-4-yl)-2,6-dichlorophenol?
The canonical SMILES for 4-(2-benzyl-1,3-thiazol-4-yl)-2,6-dichlorophenol is Oc1c(Cl)cc(-c2csc(Cc3ccccc3)n2)cc1Cl.
What is the InChIKey of 4-(2-benzyl-1,3-thiazol-4-yl)-2,6-dichlorophenol?
The InChIKey is NSULKLOAUJNJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NOS/c17-12-7-11(8-13(18)16(12)20)14-9-21-15(19-14)6-10-4-2-1-3-5-10/h1-5,7-9,20H,6H2.
What are the key properties of 4-(2-benzyl-1,3-thiazol-4-yl)-2,6-dichlorophenol?
4-(2-benzyl-1,3-thiazol-4-yl)-2,6-dichlorophenol has a molecular weight of 336.24 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzyl-1,3-thiazol-4-yl)-2,6-dichlorophenol is sourced from PubChem (CID 22932379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).