N-ethyl-3-(2-fluoroacetyl)-N,5,5-trimethyl-1,3-thiazolidine-4-carboxamide

C11H19FN2O2S — CID 23396551

IUPACN-ethyl-3-(2-fluoroacetyl)-N,5,5-trimethyl-1,3-thiazolidine-4-carboxamide
SMILESCCN(C)C(=O)C1N(C(=O)CF)CSC1(C)C
InChIInChI=1S/C11H19FN2O2S/c1-5-13(4)10(16)9-11(2,3)17-7-14(9)8(15)6-12/h9H,5-7H2,1-4H3
InChIKeyFQLLSKFREFPHPQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.11
Rot. Bonds3

About N-ethyl-3-(2-fluoroacetyl)-N,5,5-trimethyl-1,3-thiazolidine-4-carboxamide

N-ethyl-3-(2-fluoroacetyl)-N,5,5-trimethyl-1,3-thiazolidine-4-carboxamide (PubChem CID 23396551) has the molecular formula C11H19FN2O2S and a molecular weight of 262.35 g/mol. Its IUPAC name is N-ethyl-3-(2-fluoroacetyl)-N,5,5-trimethyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(2-fluoroacetyl)-N,5,5-trimethyl-1,3-thiazolidine-4-carboxamide
PubChem CID23396551
Molecular FormulaC11H19FN2O2S
Molecular Weight262.35 g/mol
Exact Mass262.12
IUPAC NameN-ethyl-3-(2-fluoroacetyl)-N,5,5-trimethyl-1,3-thiazolidine-4-carboxamide
SMILESCCN(C)C(=O)C1N(C(=O)CF)CSC1(C)C
InChIInChI=1S/C11H19FN2O2S/c1-5-13(4)10(16)9-11(2,3)17-7-14(9)8(15)6-12/h9H,5-7H2,1-4H3
InChIKeyFQLLSKFREFPHPQ-UHFFFAOYSA-N
XLogP1.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-fluoroacetyl)-N,5,5-trimethyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-ethyl-3-(2-fluoroacetyl)-N,5,5-trimethyl-1,3-thiazolidine-4-carboxamide (CID 23396551) is N-ethyl-3-(2-fluoroacetyl)-N,5,5-trimethyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-ethyl-3-(2-fluoroacetyl)-N,5,5-trimethyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-ethyl-3-(2-fluoroacetyl)-N,5,5-trimethyl-1,3-thiazolidine-4-carboxamide is CCN(C)C(=O)C1N(C(=O)CF)CSC1(C)C.
What is the InChIKey of N-ethyl-3-(2-fluoroacetyl)-N,5,5-trimethyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is FQLLSKFREFPHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O2S/c1-5-13(4)10(16)9-11(2,3)17-7-14(9)8(15)6-12/h9H,5-7H2,1-4H3.
What are the key properties of N-ethyl-3-(2-fluoroacetyl)-N,5,5-trimethyl-1,3-thiazolidine-4-carboxamide?
N-ethyl-3-(2-fluoroacetyl)-N,5,5-trimethyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-fluoroacetyl)-N,5,5-trimethyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 23396551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).