N-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylfuran-2-carboxamide

C18H19FN2O3S — CID 42814560

IUPACN-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylfuran-2-carboxamide
SMILESCC1SC(c2ccc(F)cc2)N(CCN(C)C(=O)c2ccco2)C1=O
InChIInChI=1S/C18H19FN2O3S/c1-12-16(22)21(18(25-12)13-5-7-14(19)8-6-13)10-9-20(2)17(23)15-4-3-11-24-15/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyVDTPECYUOHEJRI-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.15
Rot. Bonds5

About N-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylfuran-2-carboxamide

N-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylfuran-2-carboxamide (PubChem CID 42814560) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylfuran-2-carboxamide
PubChem CID42814560
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC NameN-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylfuran-2-carboxamide
SMILESCC1SC(c2ccc(F)cc2)N(CCN(C)C(=O)c2ccco2)C1=O
InChIInChI=1S/C18H19FN2O3S/c1-12-16(22)21(18(25-12)13-5-7-14(19)8-6-13)10-9-20(2)17(23)15-4-3-11-24-15/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyVDTPECYUOHEJRI-UHFFFAOYSA-N
XLogP3.15
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylfuran-2-carboxamide (CID 42814560) is N-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylfuran-2-carboxamide is CC1SC(c2ccc(F)cc2)N(CCN(C)C(=O)c2ccco2)C1=O.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylfuran-2-carboxamide?
The InChIKey is VDTPECYUOHEJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-12-16(22)21(18(25-12)13-5-7-14(19)8-6-13)10-9-20(2)17(23)15-4-3-11-24-15/h3-8,11-12,18H,9-10H2,1-2H3.
What are the key properties of N-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylfuran-2-carboxamide?
N-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylfuran-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 42814560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).