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

C15H20FN3O2S — CID 162660625

IUPACN-[3-(dimethylamino)-3-oxopropyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESCN(C)C(=O)CCNC(=O)C1CSC(c2ccc(F)cc2)N1
InChIInChI=1S/C15H20FN3O2S/c1-19(2)13(20)7-8-17-14(21)12-9-22-15(18-12)10-3-5-11(16)6-4-10/h3-6,12,15,18H,7-9H2,1-2H3,(H,17,21)
InChIKeyOSVGJNAAGLPZJX-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.12
Rot. Bonds5

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

N-[3-(dimethylamino)-3-oxopropyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 162660625) has the molecular formula C15H20FN3O2S and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-oxopropyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-oxopropyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID162660625
Molecular FormulaC15H20FN3O2S
Molecular Weight325.41 g/mol
Exact Mass325.13
IUPAC NameN-[3-(dimethylamino)-3-oxopropyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESCN(C)C(=O)CCNC(=O)C1CSC(c2ccc(F)cc2)N1
InChIInChI=1S/C15H20FN3O2S/c1-19(2)13(20)7-8-17-14(21)12-9-22-15(18-12)10-3-5-11(16)6-4-10/h3-6,12,15,18H,7-9H2,1-2H3,(H,17,21)
InChIKeyOSVGJNAAGLPZJX-UHFFFAOYSA-N
XLogP1.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate
CID 5170925
(4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 93356367
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356144
N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119293605
(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997
3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide
CID 60926375
2-phenyl-1,3-thiazolidine-4-carbohydrazide
CID 3064949
3-[[N-[(4-fluorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]-N,N-dimethylpropanamide
CID 111307176
(4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 61146631
3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide
CID 54934632
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81348231
methyl 2-phenyl-1,3-thiazolidine-4-carboxylate
CID 14790914

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide (CID 162660625) is N-[3-(dimethylamino)-3-oxopropyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-oxopropyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-3-oxopropyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide is CN(C)C(=O)CCNC(=O)C1CSC(c2ccc(F)cc2)N1.
What is the InChIKey of N-[3-(dimethylamino)-3-oxopropyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is OSVGJNAAGLPZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2S/c1-19(2)13(20)7-8-17-14(21)12-9-22-15(18-12)10-3-5-11(16)6-4-10/h3-6,12,15,18H,7-9H2,1-2H3,(H,17,21).
What are the key properties of N-[3-(dimethylamino)-3-oxopropyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
N-[3-(dimethylamino)-3-oxopropyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-oxopropyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 162660625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).