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

C17H20N2O4S2 — CID 4910119

IUPACN-(3-benzyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)oxolane-2-carboxamide
SMILESO=C(/N=C1\SC2CS(=O)(=O)CC2N1Cc1ccccc1)C1CCCO1
InChIInChI=1S/C17H20N2O4S2/c20-16(14-7-4-8-23-14)18-17-19(9-12-5-2-1-3-6-12)13-10-25(21,22)11-15(13)24-17/h1-3,5-6,13-15H,4,7-11H2/b18-17-
InChIKeySWRRXOYPTYMFNT-ZCXUNETKSA-N
MW380.49 g/mol
LogP1.46
Rot. Bonds3

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

N-(3-benzyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)oxolane-2-carboxamide (PubChem CID 4910119) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(3-benzyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-benzyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)oxolane-2-carboxamide
PubChem CID4910119
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC NameN-(3-benzyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)oxolane-2-carboxamide
SMILESO=C(/N=C1\SC2CS(=O)(=O)CC2N1Cc1ccccc1)C1CCCO1
InChIInChI=1S/C17H20N2O4S2/c20-16(14-7-4-8-23-14)18-17-19(9-12-5-2-1-3-6-12)13-10-25(21,22)11-15(13)24-17/h1-3,5-6,13-15H,4,7-11H2/b18-17-
InChIKeySWRRXOYPTYMFNT-ZCXUNETKSA-N
XLogP1.46
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[(3aS,6aS)-5,5-dioxo-3-(2-phenylethyl)-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide
CID 7623307
(2R)-N-[(3aS,6aS)-3-[(2-methoxyphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide
CID 98655082
(2R)-N-[(3aS,6aR)-5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide
CID 98655043
(2S)-N-[(3aS,6aR)-5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide
CID 7552355
(2S)-N-[(3aR,6aR)-3-(2-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide
CID 7579594
4-[[(3aR,6aS)-3-benzyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-4-oxobutanoic acid
CID 7622951
(2S)-N-[(3aR,6aS)-3-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide
CID 7623049
N-[3-(2-fluorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide
CID 4974349
(2S)-N-[(3aR,6aS)-3-(2-fluorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide
CID 7553815
(2S)-N-[(3aS,6aS)-3-(3-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide
CID 7621188
(2R)-N-[(3aR,6aS)-3-(3-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide
CID 124771278
N-[(3aS,6aR)-3-[(4-chlorophenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]cyclopropanecarboxamide
CID 7623399

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-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-benzyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)oxolane-2-carboxamide (CID 4910119) is N-(3-benzyl-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-benzyl-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-benzyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)oxolane-2-carboxamide is O=C(/N=C1\SC2CS(=O)(=O)CC2N1Cc1ccccc1)C1CCCO1.
What is the InChIKey of N-(3-benzyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)oxolane-2-carboxamide?
The InChIKey is SWRRXOYPTYMFNT-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c20-16(14-7-4-8-23-14)18-17-19(9-12-5-2-1-3-6-12)13-10-25(21,22)11-15(13)24-17/h1-3,5-6,13-15H,4,7-11H2/b18-17-.
What are the key properties of N-(3-benzyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)oxolane-2-carboxamide?
N-(3-benzyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)oxolane-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)oxolane-2-carboxamide is sourced from PubChem (CID 4910119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).