N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide

C13H15F2N3O2S — CID 119316827

IUPACN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)C1CSCN1
InChIInChI=1S/C13H15F2N3O2S/c1-18(13(20)11-6-21-7-16-11)5-12(19)17-10-3-8(14)2-9(15)4-10/h2-4,11,16H,5-7H2,1H3,(H,17,19)
InChIKeyDATITDIZHYCQOK-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.02
Rot. Bonds4

About N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide

N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide (PubChem CID 119316827) has the molecular formula C13H15F2N3O2S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide
PubChem CID119316827
Molecular FormulaC13H15F2N3O2S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC NameN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)C1CSCN1
InChIInChI=1S/C13H15F2N3O2S/c1-18(13(20)11-6-21-7-16-11)5-12(19)17-10-3-8(14)2-9(15)4-10/h2-4,11,16H,5-7H2,1H3,(H,17,19)
InChIKeyDATITDIZHYCQOK-UHFFFAOYSA-N
XLogP1.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 54871505
N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119294184
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119267842
N-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide
CID 82908719
trans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 9441278
2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 119772007
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119274181
3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119772016
2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride
CID 119772006
N-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide
CID 82905478
(2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide
CID 61165460
2-[azetidin-3-yl(ethyl)amino]-N-(3,5-difluorophenyl)acetamide
CID 66184313

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide (CID 119316827) is N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide is CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)C1CSCN1.
What is the InChIKey of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is DATITDIZHYCQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2S/c1-18(13(20)11-6-21-7-16-11)5-12(19)17-10-3-8(14)2-9(15)4-10/h2-4,11,16H,5-7H2,1H3,(H,17,19).
What are the key properties of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119316827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).