methyl 2-[2-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfanylbenzoate

C20H17NO3S2 — CID 58541557

IUPACmethyl 2-[2-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfanylbenzoate
SMILESCOC(=O)c1ccccc1Sc1ccccc1CC(=O)Cc1nccs1
InChIInChI=1S/C20H17NO3S2/c1-24-20(23)16-7-3-5-9-18(16)26-17-8-4-2-6-14(17)12-15(22)13-19-21-10-11-25-19/h2-11H,12-13H2,1H3
InChIKeyUIDDCIUJOJGVPM-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.44
Rot. Bonds7

About methyl 2-[2-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfanylbenzoate

methyl 2-[2-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfanylbenzoate (PubChem CID 58541557) has the molecular formula C20H17NO3S2 and a molecular weight of 383.49 g/mol. Its IUPAC name is methyl 2-[2-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfanylbenzoate.

Molecular Properties

Compound Namemethyl 2-[2-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfanylbenzoate
PubChem CID58541557
Molecular FormulaC20H17NO3S2
Molecular Weight383.49 g/mol
Exact Mass383.06
IUPAC Namemethyl 2-[2-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfanylbenzoate
SMILESCOC(=O)c1ccccc1Sc1ccccc1CC(=O)Cc1nccs1
InChIInChI=1S/C20H17NO3S2/c1-24-20(23)16-7-3-5-9-18(16)26-17-8-4-2-6-14(17)12-15(22)13-19-21-10-11-25-19/h2-11H,12-13H2,1H3
InChIKeyUIDDCIUJOJGVPM-UHFFFAOYSA-N
XLogP4.44
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-benzoylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541459
methyl 2-(1,3-thiazol-2-ylmethylsulfamoyl)benzoate
CID 103833481
methyl 2-(2-formylphenyl)sulfanylbenzoate
CID 139661382
methyl 2-(ethyldisulfanyl)benzoate
CID 86221327
3-methoxycarbonyl-2-(1,3-thiazol-2-yl)benzoic acid
CID 174307635
1-propan-2-yloxy-3-(1,3-thiazol-2-yl)propan-2-one
CID 105118060
methyl 2-[[5-(dimethylamino)-1-benzothiophen-3-yl]sulfanyl]benzoate
CID 68896871
1-(4-propan-2-ylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one
CID 157253743
5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-one
CID 105118111
methyl 2-[[2-(4-chlorophenyl)sulfanylphenyl]methylsulfanyl]benzoate
CID 2765521
methyl 2-[4-(2-methoxycarbonylphenyl)sulfanylbutylsulfanyl]benzoate
CID 139077715
methyl 2-(2-methylpropanoylsulfanyl)benzoate
CID 101020581

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfanylbenzoate?
The IUPAC name of methyl 2-[2-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfanylbenzoate (CID 58541557) is methyl 2-[2-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfanylbenzoate.
What is the SMILES notation for methyl 2-[2-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfanylbenzoate?
The canonical SMILES for methyl 2-[2-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfanylbenzoate is COC(=O)c1ccccc1Sc1ccccc1CC(=O)Cc1nccs1.
What is the InChIKey of methyl 2-[2-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfanylbenzoate?
The InChIKey is UIDDCIUJOJGVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S2/c1-24-20(23)16-7-3-5-9-18(16)26-17-8-4-2-6-14(17)12-15(22)13-19-21-10-11-25-19/h2-11H,12-13H2,1H3.
What are the key properties of methyl 2-[2-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfanylbenzoate?
methyl 2-[2-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfanylbenzoate has a molecular weight of 383.49 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfanylbenzoate is sourced from PubChem (CID 58541557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).