methyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]oxymethyl]furan-3-carboxylate

C19H17NO5S2 — CID 55510233

IUPACmethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]oxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COC(=O)c1ccccc1SCc1csc(C)n1
InChIInChI=1S/C19H17NO5S2/c1-12-20-13(10-26-12)11-27-17-6-4-3-5-15(17)19(22)25-9-16-14(7-8-24-16)18(21)23-2/h3-8,10H,9,11H2,1-2H3
InChIKeyREGFTINJMFNDAV-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.48
Rot. Bonds7

About methyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]oxymethyl]furan-3-carboxylate

methyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]oxymethyl]furan-3-carboxylate (PubChem CID 55510233) has the molecular formula C19H17NO5S2 and a molecular weight of 403.48 g/mol. Its IUPAC name is methyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]oxymethyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]oxymethyl]furan-3-carboxylate
PubChem CID55510233
Molecular FormulaC19H17NO5S2
Molecular Weight403.48 g/mol
Exact Mass403.05
IUPAC Namemethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]oxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COC(=O)c1ccccc1SCc1csc(C)n1
InChIInChI=1S/C19H17NO5S2/c1-12-20-13(10-26-12)11-27-17-6-4-3-5-15(17)19(22)25-9-16-14(7-8-24-16)18(21)23-2/h3-8,10H,9,11H2,1-2H3
InChIKeyREGFTINJMFNDAV-UHFFFAOYSA-N
XLogP4.48
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]oxymethyl]furan-3-carboxylate with MolForge

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Related Compounds

(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 154794211
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 16607109
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 55505779
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 16612698
N-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 47140365
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 16607035
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 46508388
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 16612685
(4-carbamoyl-2-nitrophenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 16797541
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 16607034
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 16612699
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 16607063

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]oxymethyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]oxymethyl]furan-3-carboxylate (CID 55510233) is methyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]oxymethyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]oxymethyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]oxymethyl]furan-3-carboxylate is COC(=O)c1ccoc1COC(=O)c1ccccc1SCc1csc(C)n1.
What is the InChIKey of methyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]oxymethyl]furan-3-carboxylate?
The InChIKey is REGFTINJMFNDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5S2/c1-12-20-13(10-26-12)11-27-17-6-4-3-5-15(17)19(22)25-9-16-14(7-8-24-16)18(21)23-2/h3-8,10H,9,11H2,1-2H3.
What are the key properties of methyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]oxymethyl]furan-3-carboxylate?
methyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]oxymethyl]furan-3-carboxylate has a molecular weight of 403.48 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]oxymethyl]furan-3-carboxylate is sourced from PubChem (CID 55510233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).