N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide

C15H20N4O2S — CID 174087995

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILES[H]/N=C1\NC(=O)C(CC(=O)NCCc2ccc(N(C)C)cc2)S1
InChIInChI=1S/C15H20N4O2S/c1-19(2)11-5-3-10(4-6-11)7-8-17-13(20)9-12-14(21)18-15(16)22-12/h3-6,12H,7-9H2,1-2H3,(H,17,20)(H2,16,18,21)
InChIKeyGPKORTXVXCMVBC-UHFFFAOYSA-N
MW320.42 g/mol
LogP0.97
Rot. Bonds6

About N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide

N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 174087995) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID174087995
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILES[H]/N=C1\NC(=O)C(CC(=O)NCCc2ccc(N(C)C)cc2)S1
InChIInChI=1S/C15H20N4O2S/c1-19(2)11-5-3-10(4-6-11)7-8-17-13(20)9-12-14(21)18-15(16)22-12/h3-6,12H,7-9H2,1-2H3,(H,17,20)(H2,16,18,21)
InChIKeyGPKORTXVXCMVBC-UHFFFAOYSA-N
XLogP0.97
TPSA85.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[(2E)-4-oxo-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 137291878
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-oxo-2-[(E)-(4-pyrrolidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 172975338
N-[[4-(dimethylamino)phenyl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9304215
2-imino-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 146674629
2-imino-5-phenacyl-1,3-thiazolidin-4-one
CID 138978177
N-(3,5-dichlorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 171128042
N-(2,5-dichlorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 138376746
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 138376642
methyl 2-[[2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]benzoate
CID 140511252
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 86261442
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
CID 16889411
2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide
CID 46981421

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 174087995) is N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide is [H]/N=C1\NC(=O)C(CC(=O)NCCc2ccc(N(C)C)cc2)S1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is GPKORTXVXCMVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-19(2)11-5-3-10(4-6-11)7-8-17-13(20)9-12-14(21)18-15(16)22-12/h3-6,12H,7-9H2,1-2H3,(H,17,20)(H2,16,18,21).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 320.42 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 174087995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).