N-(2,4-dimethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide

C19H19N3O4S — CID 3159758

IUPACN-(2,4-dimethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide
SMILES[H]/N=C1\SC(CC(=O)Nc2ccc(OC)cc2OC)C(=O)N1c1ccccc1
InChIInChI=1S/C19H19N3O4S/c1-25-13-8-9-14(15(10-13)26-2)21-17(23)11-16-18(24)22(19(20)27-16)12-6-4-3-5-7-12/h3-10,16,20H,11H2,1-2H3,(H,21,23)/b20-19-
InChIKeyHTUBGENRNXQHFQ-VXPUYCOJSA-N
MW385.45 g/mol
LogP3.12
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide

N-(2,4-dimethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide (PubChem CID 3159758) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide
PubChem CID3159758
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide
SMILES[H]/N=C1\SC(CC(=O)Nc2ccc(OC)cc2OC)C(=O)N1c1ccccc1
InChIInChI=1S/C19H19N3O4S/c1-25-13-8-9-14(15(10-13)26-2)21-17(23)11-16-18(24)22(19(20)27-16)12-6-4-3-5-7-12/h3-10,16,20H,11H2,1-2H3,(H,21,23)/b20-19-
InChIKeyHTUBGENRNXQHFQ-VXPUYCOJSA-N
XLogP3.12
TPSA91.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N~1~,N~6~-bis(2,4-dimethoxyphenyl)hexanediamide
CID 4601418
N-(2,4-dimethoxyphenyl)-2-{[3-(4-fluorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]thio}acetamide
CID 3239306
2-(4,6-Dihydroxy-pyrimidin-2-ylsulfanyl)-N-(2,4-dimethoxy-phenyl)-acetamide
CID 864696
3,3'-thiobis[N-(2,4-dimethoxyphenyl)propanamide]
CID 2933269
N-(2,4-dimethoxyphenyl)-2-{2-[(4-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-yl}acetamide
CID 2936993
2-[3-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 3881168
2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methoxyphenyl)acetamide
CID 3157512
N-(2,4-dimethoxyphenyl)-2-[(2E)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135410831
2-{2-[(4-ethoxyphenyl)amino]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-(4-methoxyphenyl)acetamide
CID 135427531
N-(2-Methoxyphenyl)-2-[(2-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3139971
N-(2,4-dimethoxyphenyl)-2-(phenylsulfanyl)acetamide
CID 846468
N-(2,4-dimethoxyphenyl)-2-((4-oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 2155121

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide (CID 3159758) is N-(2,4-dimethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide is [H]/N=C1\SC(CC(=O)Nc2ccc(OC)cc2OC)C(=O)N1c1ccccc1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is HTUBGENRNXQHFQ-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-25-13-8-9-14(15(10-13)26-2)21-17(23)11-16-18(24)22(19(20)27-16)12-6-4-3-5-7-12/h3-10,16,20H,11H2,1-2H3,(H,21,23)/b20-19-.
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide?
N-(2,4-dimethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 385.45 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 3159758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).