ethyl 3-[(3-fluorophenyl)carbamoyl]-2-pentyl-1,3-thiazolidine-4-carboxylate

C18H25FN2O3S — CID 3307296

IUPACethyl 3-[(3-fluorophenyl)carbamoyl]-2-pentyl-1,3-thiazolidine-4-carboxylate
SMILESCCCCCC1SCC(C(=O)OCC)N1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H25FN2O3S/c1-3-5-6-10-16-21(15(12-25-16)17(22)24-4-2)18(23)20-14-9-7-8-13(19)11-14/h7-9,11,15-16H,3-6,10,12H2,1-2H3,(H,20,23)
InChIKeyINCMPDGFMWWORG-UHFFFAOYSA-N
MW368.47 g/mol
LogP4.24
Rot. Bonds7

About ethyl 3-[(3-fluorophenyl)carbamoyl]-2-pentyl-1,3-thiazolidine-4-carboxylate

ethyl 3-[(3-fluorophenyl)carbamoyl]-2-pentyl-1,3-thiazolidine-4-carboxylate (PubChem CID 3307296) has the molecular formula C18H25FN2O3S and a molecular weight of 368.47 g/mol. Its IUPAC name is ethyl 3-[(3-fluorophenyl)carbamoyl]-2-pentyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(3-fluorophenyl)carbamoyl]-2-pentyl-1,3-thiazolidine-4-carboxylate
PubChem CID3307296
Molecular FormulaC18H25FN2O3S
Molecular Weight368.47 g/mol
Exact Mass368.16
IUPAC Nameethyl 3-[(3-fluorophenyl)carbamoyl]-2-pentyl-1,3-thiazolidine-4-carboxylate
SMILESCCCCCC1SCC(C(=O)OCC)N1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H25FN2O3S/c1-3-5-6-10-16-21(15(12-25-16)17(22)24-4-2)18(23)20-14-9-7-8-13(19)11-14/h7-9,11,15-16H,3-6,10,12H2,1-2H3,(H,20,23)
InChIKeyINCMPDGFMWWORG-UHFFFAOYSA-N
XLogP4.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-fluorophenyl)carbamoyl]-2-pentyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl 3-[(3-fluorophenyl)carbamoyl]-2-pentyl-1,3-thiazolidine-4-carboxylate (CID 3307296) is ethyl 3-[(3-fluorophenyl)carbamoyl]-2-pentyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl 3-[(3-fluorophenyl)carbamoyl]-2-pentyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl 3-[(3-fluorophenyl)carbamoyl]-2-pentyl-1,3-thiazolidine-4-carboxylate is CCCCCC1SCC(C(=O)OCC)N1C(=O)Nc1cccc(F)c1.
What is the InChIKey of ethyl 3-[(3-fluorophenyl)carbamoyl]-2-pentyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is INCMPDGFMWWORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3S/c1-3-5-6-10-16-21(15(12-25-16)17(22)24-4-2)18(23)20-14-9-7-8-13(19)11-14/h7-9,11,15-16H,3-6,10,12H2,1-2H3,(H,20,23).
What are the key properties of ethyl 3-[(3-fluorophenyl)carbamoyl]-2-pentyl-1,3-thiazolidine-4-carboxylate?
ethyl 3-[(3-fluorophenyl)carbamoyl]-2-pentyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 368.47 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-fluorophenyl)carbamoyl]-2-pentyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 3307296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).