N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide

C17H18FN3O2S — CID 18200530

IUPACN-[2-(2-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(N2CCCC2=O)n1)NCCc1ccccc1F
InChIInChI=1S/C17H18FN3O2S/c18-14-5-2-1-4-12(14)7-8-19-15(22)10-13-11-24-17(20-13)21-9-3-6-16(21)23/h1-2,4-5,11H,3,6-10H2,(H,19,22)
InChIKeyCJLCSZXMCGBEQX-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.31
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide

N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 18200530) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID18200530
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(N2CCCC2=O)n1)NCCc1ccccc1F
InChIInChI=1S/C17H18FN3O2S/c18-14-5-2-1-4-12(14)7-8-19-15(22)10-13-11-24-17(20-13)21-9-3-6-16(21)23/h1-2,4-5,11H,3,6-10H2,(H,19,22)
InChIKeyCJLCSZXMCGBEQX-UHFFFAOYSA-N
XLogP2.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide (CID 18200530) is N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(N2CCCC2=O)n1)NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is CJLCSZXMCGBEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c18-14-5-2-1-4-12(14)7-8-19-15(22)10-13-11-24-17(20-13)21-9-3-6-16(21)23/h1-2,4-5,11H,3,6-10H2,(H,19,22).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 18200530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).