N-(5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)-2-phenoxyacetamide

C19H18N2O4S2 — CID 4907319

IUPACN-(5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)/N=C1\SC2CS(=O)(=O)CC2N1c1ccccc1
InChIInChI=1S/C19H18N2O4S2/c22-18(11-25-15-9-5-2-6-10-15)20-19-21(14-7-3-1-4-8-14)16-12-27(23,24)13-17(16)26-19/h1-10,16-17H,11-13H2/b20-19-
InChIKeyNDXJOZLVYZKSRJ-VXPUYCOJSA-N
MW402.50 g/mol
LogP2.37
Rot. Bonds4

About N-(5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)-2-phenoxyacetamide

N-(5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)-2-phenoxyacetamide (PubChem CID 4907319) has the molecular formula C19H18N2O4S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)-2-phenoxyacetamide
PubChem CID4907319
Molecular FormulaC19H18N2O4S2
Molecular Weight402.50 g/mol
Exact Mass402.07
IUPAC NameN-(5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)/N=C1\SC2CS(=O)(=O)CC2N1c1ccccc1
InChIInChI=1S/C19H18N2O4S2/c22-18(11-25-15-9-5-2-6-10-15)20-19-21(14-7-3-1-4-8-14)16-12-27(23,24)13-17(16)26-19/h1-10,16-17H,11-13H2/b20-19-
InChIKeyNDXJOZLVYZKSRJ-VXPUYCOJSA-N
XLogP2.37
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)-2-phenoxyacetamide?
The IUPAC name of N-(5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)-2-phenoxyacetamide (CID 4907319) is N-(5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)-2-phenoxyacetamide.
What is the SMILES notation for N-(5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)-2-phenoxyacetamide?
The canonical SMILES for N-(5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)-2-phenoxyacetamide is O=C(COc1ccccc1)/N=C1\SC2CS(=O)(=O)CC2N1c1ccccc1.
What is the InChIKey of N-(5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)-2-phenoxyacetamide?
The InChIKey is NDXJOZLVYZKSRJ-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H18N2O4S2/c22-18(11-25-15-9-5-2-6-10-15)20-19-21(14-7-3-1-4-8-14)16-12-27(23,24)13-17(16)26-19/h1-10,16-17H,11-13H2/b20-19-.
What are the key properties of N-(5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)-2-phenoxyacetamide?
N-(5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)-2-phenoxyacetamide has a molecular weight of 402.50 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)-2-phenoxyacetamide is sourced from PubChem (CID 4907319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).