N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide

C17H20N2O5S2 — CID 4904059

IUPACN-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide
SMILESCOc1cccc(N2/C(=N/C(=O)C3CCCO3)SC3CS(=O)(=O)CC32)c1
InChIInChI=1S/C17H20N2O5S2/c1-23-12-5-2-4-11(8-12)19-13-9-26(21,22)10-15(13)25-17(19)18-16(20)14-6-3-7-24-14/h2,4-5,8,13-15H,3,6-7,9-10H2,1H3/b18-17-
InChIKeyVYFLOLJCNFSFPG-ZCXUNETKSA-N
MW396.49 g/mol
LogP1.48
Rot. Bonds3

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

N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide (PubChem CID 4904059) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide
PubChem CID4904059
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC NameN-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide
SMILESCOc1cccc(N2/C(=N/C(=O)C3CCCO3)SC3CS(=O)(=O)CC32)c1
InChIInChI=1S/C17H20N2O5S2/c1-23-12-5-2-4-11(8-12)19-13-9-26(21,22)10-15(13)25-17(19)18-16(20)14-6-3-7-24-14/h2,4-5,8,13-15H,3,6-7,9-10H2,1H3/b18-17-
InChIKeyVYFLOLJCNFSFPG-ZCXUNETKSA-N
XLogP1.48
TPSA85.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide with MolForge

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Related Compounds

(Z)-N-(3-(3-fluorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-phenoxyacetamide
CID 4900226
3-cyclopentyl-N-[(2Z)-3-(3-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide
CID 4901854
N-[(2Z)-3-(2,5-dimethoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclohexanecarboxamide
CID 4902683
N-[(2Z)-5,5-dioxido-3-phenyltetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenoxyacetamide
CID 4907319
(Z)-N-(3-(4-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-phenoxypropanamide
CID 4973507
N-[(2Z)-3-[4-(dimethylamino)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenoxyacetamide
CID 4974555
N-[(2Z)-3-(3-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide
CID 666609
N-[(2Z)-3-(3-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenoxyacetamide
CID 4870055
N-[(2E)-3-(3-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclohexanecarboxamide
CID 4900809
(Z)-N-(5,5-dioxido-3-phenyltetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-phenoxypropanamide
CID 4974595
N-[(2Z)-3-(4-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide
CID 4903466
N-[(2Z)-3-(2,4-difluorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenoxyacetamide
CID 4906073

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide?
The IUPAC name of N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide (CID 4904059) is N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide is COc1cccc(N2/C(=N/C(=O)C3CCCO3)SC3CS(=O)(=O)CC32)c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide?
The InChIKey is VYFLOLJCNFSFPG-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-23-12-5-2-4-11(8-12)19-13-9-26(21,22)10-15(13)25-17(19)18-16(20)14-6-3-7-24-14/h2,4-5,8,13-15H,3,6-7,9-10H2,1H3/b18-17-.
What are the key properties of N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide?
N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide is sourced from PubChem (CID 4904059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).