5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one

C16H11Cl2NO3S — CID 91588688

IUPAC5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(Cc2ccccc2Oc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C16H11Cl2NO3S/c17-10-5-6-13(11(18)8-10)22-12-4-2-1-3-9(12)7-14-15(20)19-16(21)23-14/h1-6,8,20H,7H2,(H,19,21)
InChIKeyFNVSBWKQWNHUFB-UHFFFAOYSA-N
MW368.24 g/mol
LogP4.83
Rot. Bonds4

About 5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one

5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 91588688) has the molecular formula C16H11Cl2NO3S and a molecular weight of 368.24 g/mol. Its IUPAC name is 5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
PubChem CID91588688
Molecular FormulaC16H11Cl2NO3S
Molecular Weight368.24 g/mol
Exact Mass366.98
IUPAC Name5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(Cc2ccccc2Oc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C16H11Cl2NO3S/c17-10-5-6-13(11(18)8-10)22-12-4-2-1-3-9(12)7-14-15(20)19-16(21)23-14/h1-6,8,20H,7H2,(H,19,21)
InChIKeyFNVSBWKQWNHUFB-UHFFFAOYSA-N
XLogP4.83
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 15605422
N-[(2,4-dichlorophenyl)methyl]-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxybenzamide
CID 91036942
2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid
CID 13409359
2-[2-(2,4-dichlorophenoxy)phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 118105355
4-hydroxy-5-[[4-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]methyl]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 90913449
N-[[2-(2,4-dichlorophenoxy)phenyl]methyl]propan-1-amine
CID 43283282
5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol
CID 67724550
4-hydroxy-5-[[4-(2-phenylethyl)phenyl]methyl]-3H-1,3-thiazol-2-one
CID 91934054
1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one
CID 112677568
1-(diethylamino)ethyl 2-[2-(2,4-dichlorophenoxy)phenyl]acetate
CID 67460438
5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
CID 87201530
5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
CID 66601504

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one (CID 91588688) is 5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one is O=c1[nH]c(O)c(Cc2ccccc2Oc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The InChIKey is FNVSBWKQWNHUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO3S/c17-10-5-6-13(11(18)8-10)22-12-4-2-1-3-9(12)7-14-15(20)19-16(21)23-14/h1-6,8,20H,7H2,(H,19,21).
What are the key properties of 5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 368.24 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one is sourced from PubChem (CID 91588688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).