N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide

C13H17N3O2S — CID 54871505

IUPACN-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)C1CSCN1
InChIInChI=1S/C13H17N3O2S/c1-16(13(18)11-8-19-9-14-11)7-12(17)15-10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,15,17)
InChIKeyIBBXXXQRAKZXHT-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.75
Rot. Bonds4

About N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide

N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide (PubChem CID 54871505) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide
PubChem CID54871505
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC NameN-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)C1CSCN1
InChIInChI=1S/C13H17N3O2S/c1-16(13(18)11-8-19-9-14-11)7-12(17)15-10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,15,17)
InChIKeyIBBXXXQRAKZXHT-UHFFFAOYSA-N
XLogP0.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.75
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;hydrochloride
CID 119294184
N-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide
CID 82908719
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 119316827
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119267842
(2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide
CID 61165460
(2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide
CID 103809357
N-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79389093
N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 43579156
(4S)-N-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 93367241
N-phenyl-2-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]acetamide
CID 110741454
N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61250253
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119274181

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide (CID 54871505) is N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide is CN(CC(=O)Nc1ccccc1)C(=O)C1CSCN1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is IBBXXXQRAKZXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-16(13(18)11-8-19-9-14-11)7-12(17)15-10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,15,17).
What are the key properties of N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide?
N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 54871505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).