N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide

C18H26FN3O2S — CID 42748609

IUPACN-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)C(=O)N1C(C(=O)NCCN(C)C)CSC1c1cccc(F)c1
InChIInChI=1S/C18H26FN3O2S/c1-12(2)17(24)22-15(16(23)20-8-9-21(3)4)11-25-18(22)13-6-5-7-14(19)10-13/h5-7,10,12,15,18H,8-9,11H2,1-4H3,(H,20,23)
InChIKeyIDVUIARHOAXYAS-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.10
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42748609) has the molecular formula C18H26FN3O2S and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42748609
Molecular FormulaC18H26FN3O2S
Molecular Weight367.49 g/mol
Exact Mass367.17
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)C(=O)N1C(C(=O)NCCN(C)C)CSC1c1cccc(F)c1
InChIInChI=1S/C18H26FN3O2S/c1-12(2)17(24)22-15(16(23)20-8-9-21(3)4)11-25-18(22)13-6-5-7-14(19)10-13/h5-7,10,12,15,18H,8-9,11H2,1-4H3,(H,20,23)
InChIKeyIDVUIARHOAXYAS-UHFFFAOYSA-N
XLogP2.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 42748553
(2S,4R)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7362577
(2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7362578
2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748611
3-butanoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42748586
3-benzoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42748298
3-acetyl-2-(3-fluorophenyl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 4542958
(2R,4S)-N-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 7412355
N-[2-(dimethylamino)ethyl]-2-[2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 42814850
(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 7288424
(2S,4R)-N-butyl-2-(3-fluorophenyl)-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 7337817
(2S,4R)-N-(4-fluorophenyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 7231990

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide (CID 42748609) is N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide is CC(C)C(=O)N1C(C(=O)NCCN(C)C)CSC1c1cccc(F)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is IDVUIARHOAXYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2S/c1-12(2)17(24)22-15(16(23)20-8-9-21(3)4)11-25-18(22)13-6-5-7-14(19)10-13/h5-7,10,12,15,18H,8-9,11H2,1-4H3,(H,20,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42748609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).