[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

C18H18N2O5S2 — CID 55733885

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccccc2)sc1C(=O)OCc1ccc(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C18H18N2O5S2/c1-12-16(26-17(19-12)13-7-5-4-6-8-13)18(21)24-11-14-9-10-15(25-14)27(22,23)20(2)3/h4-10H,11H2,1-3H3
InChIKeyMGCKKABYNMPOGB-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.32
Rot. Bonds6

About [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 55733885) has the molecular formula C18H18N2O5S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
PubChem CID55733885
Molecular FormulaC18H18N2O5S2
Molecular Weight406.49 g/mol
Exact Mass406.07
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccccc2)sc1C(=O)OCc1ccc(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C18H18N2O5S2/c1-12-16(26-17(19-12)13-7-5-4-6-8-13)18(21)24-11-14-9-10-15(25-14)27(22,23)20(2)3/h4-10H,11H2,1-3H3
InChIKeyMGCKKABYNMPOGB-UHFFFAOYSA-N
XLogP3.32
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate
CID 55730900
(4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 16578998
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 18147558
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-phenoxybenzoate
CID 55730810
(5-methoxycarbonylfuran-2-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8513422
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8631782
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(methylsulfonylmethyl)benzoate
CID 55730894
[2-(4-chlorophenyl)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724399
[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724558
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 25313151
[2-(carbamoylamino)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721088
2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
CID 14318557

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate (CID 55733885) is [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate is Cc1nc(-c2ccccc2)sc1C(=O)OCc1ccc(S(=O)(=O)N(C)C)o1.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is MGCKKABYNMPOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S2/c1-12-16(26-17(19-12)13-7-5-4-6-8-13)18(21)24-11-14-9-10-15(25-14)27(22,23)20(2)3/h4-10H,11H2,1-3H3.
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 406.49 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 55733885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).