N-[3-chloro-2-(dimethylamino)phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

C13H16ClN3O2S — CID 46485457

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)CN1CCSC1=O
InChIInChI=1S/C13H16ClN3O2S/c1-16(2)12-9(14)4-3-5-10(12)15-11(18)8-17-6-7-20-13(17)19/h3-5H,6-8H2,1-2H3,(H,15,18)
InChIKeyVFNBPCBUYHNBLE-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.51
Rot. Bonds4

About N-[3-chloro-2-(dimethylamino)phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

N-[3-chloro-2-(dimethylamino)phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 46485457) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID46485457
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)CN1CCSC1=O
InChIInChI=1S/C13H16ClN3O2S/c1-16(2)12-9(14)4-3-5-10(12)15-11(18)8-17-6-7-20-13(17)19/h3-5H,6-8H2,1-2H3,(H,15,18)
InChIKeyVFNBPCBUYHNBLE-UHFFFAOYSA-N
XLogP2.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9069845
2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
CID 47118630
N-(2-fluorophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9074397
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9089490
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 9003461
N-(2-chlorophenyl)-2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetamide
CID 27860722
2-(1-aminocyclobutyl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide
CID 79851030
N-[3-chloro-2-(dimethylamino)phenyl]-3-(propan-2-ylamino)propanamide
CID 60853978
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
CID 46639453
6-[3-chloro-2-(dimethylamino)anilino]-6-oxohexanoic acid
CID 60940353
N-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8871207
3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 24614147

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (CID 46485457) is N-[3-chloro-2-(dimethylamino)phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is CN(C)c1c(Cl)cccc1NC(=O)CN1CCSC1=O.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is VFNBPCBUYHNBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-16(2)12-9(14)4-3-5-10(12)15-11(18)8-17-6-7-20-13(17)19/h3-5H,6-8H2,1-2H3,(H,15,18).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[3-chloro-2-(dimethylamino)phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 313.81 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 46485457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).