4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline

C14H18N4O3S — CID 34282281

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
SMILESCc1noc([C@@H](C)Nc2ccc(N3CCCS3(=O)=O)cc2)n1
InChIInChI=1S/C14H18N4O3S/c1-10(14-16-11(2)17-21-14)15-12-4-6-13(7-5-12)18-8-3-9-22(18,19)20/h4-7,10,15H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyRLYMRNJYBBOEKA-SNVBAGLBSA-N
MW322.39 g/mol
LogP2.09
Rot. Bonds4

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline (PubChem CID 34282281) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
PubChem CID34282281
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
SMILESCc1noc([C@@H](C)Nc2ccc(N3CCCS3(=O)=O)cc2)n1
InChIInChI=1S/C14H18N4O3S/c1-10(14-16-11(2)17-21-14)15-12-4-6-13(7-5-12)18-8-3-9-22(18,19)20/h4-7,10,15H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyRLYMRNJYBBOEKA-SNVBAGLBSA-N
XLogP2.09
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110623013
4-(4-benzylpiperazin-1-yl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 34275196
5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one
CID 34282424
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 55634395
(1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine
CID 93256546
4-ethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 95337872
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]formamide
CID 168653690
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride
CID 75414041
4-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline;hydrochloride
CID 171150549
(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-2-propan-2-ylpiperazine-1-carboxamide
CID 129398248
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide
CID 7424221
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133471767

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline (CID 34282281) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline is Cc1noc([C@@H](C)Nc2ccc(N3CCCS3(=O)=O)cc2)n1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
The InChIKey is RLYMRNJYBBOEKA-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-10(14-16-11(2)17-21-14)15-12-4-6-13(7-5-12)18-8-3-9-22(18,19)20/h4-7,10,15H,3,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline has a molecular weight of 322.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 34282281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).