3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide

C16H21FN2O2S — CID 4317382

IUPAC3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(CC)C(=O)N1CSCC1C(=O)Nc1ccccc1F
InChIInChI=1S/C16H21FN2O2S/c1-3-11(4-2)16(21)19-10-22-9-14(19)15(20)18-13-8-6-5-7-12(13)17/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyRDKNXHZQKBCNCJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.10
Rot. Bonds5

About 3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide

3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 4317382) has the molecular formula C16H21FN2O2S and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID4317382
Molecular FormulaC16H21FN2O2S
Molecular Weight324.42 g/mol
Exact Mass324.13
IUPAC Name3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(CC)C(=O)N1CSCC1C(=O)Nc1ccccc1F
InChIInChI=1S/C16H21FN2O2S/c1-3-11(4-2)16(21)19-10-22-9-14(19)15(20)18-13-8-6-5-7-12(13)17/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyRDKNXHZQKBCNCJ-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide
CID 97067644
3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42745326
(4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 95154769
3-(3,5-dimethoxybenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42745754
(4R)-3-[2-(2,4-difluorophenoxy)acetyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 95159673
(4R)-3-(3-cyanobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 95236593
3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 24702600
3-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 72685702
(4R)-3-(2-chloro-4-nitrobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 95703211
3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 51330773
(4S)-3-(2-ethylbutanoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 20973579
(4S)-3-propanoyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 95292279

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide (CID 4317382) is 3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide is CCC(CC)C(=O)N1CSCC1C(=O)Nc1ccccc1F.
What is the InChIKey of 3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is RDKNXHZQKBCNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2S/c1-3-11(4-2)16(21)19-10-22-9-14(19)15(20)18-13-8-6-5-7-12(13)17/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,18,20).
What are the key properties of 3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 4317382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).