3-(furan-2-yl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one

C16H14N2O3S2 — CID 5296295

IUPAC3-(furan-2-yl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
SMILESCOc1ccc(N2C(=O)C3CSC(c4ccco4)N3C2=S)cc1
InChIInChI=1S/C16H14N2O3S2/c1-20-11-6-4-10(5-7-11)17-14(19)12-9-23-15(18(12)16(17)22)13-3-2-8-21-13/h2-8,12,15H,9H2,1H3
InChIKeyUPZKKMALLADIOH-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.04
Rot. Bonds3

About 3-(furan-2-yl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one

3-(furan-2-yl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one (PubChem CID 5296295) has the molecular formula C16H14N2O3S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(furan-2-yl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one.

Molecular Properties

Compound Name3-(furan-2-yl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
PubChem CID5296295
Molecular FormulaC16H14N2O3S2
Molecular Weight346.43 g/mol
Exact Mass346.04
IUPAC Name3-(furan-2-yl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
SMILESCOc1ccc(N2C(=O)C3CSC(c4ccco4)N3C2=S)cc1
InChIInChI=1S/C16H14N2O3S2/c1-20-11-6-4-10(5-7-11)17-14(19)12-9-23-15(18(12)16(17)22)13-3-2-8-21-13/h2-8,12,15H,9H2,1H3
InChIKeyUPZKKMALLADIOH-UHFFFAOYSA-N
XLogP3.04
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-methoxyphenyl)-5-sulfanylidene-3-thiophen-2-yl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 3403954
(7aR)-3-(4-chlorophenyl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 17038565
(7aR)-6-(4-methoxyphenyl)-5-sulfanylidene-3-thiophen-3-yl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 5295795
(3S,7aR)-6-(4-methoxyphenyl)-3-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 7732332
(7aR)-3-(4-ethoxyphenyl)-6-phenyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 5295362
(7aR)-3-(4-fluorophenyl)-6-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 5299944
(7aR)-3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 5295363
3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 5031449
(7aR)-3,6-bis(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 17385931
3,6-bis(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 3556780
(2S)-2-(furan-2-yl)-3-(4-methoxyphenyl)-1,3-thiazolidine
CID 686042
(2R,6R,7R,9S,13R,14S)-7,14-bis(furan-2-yl)-4,11-bis(4-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 98105339

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The IUPAC name of 3-(furan-2-yl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one (CID 5296295) is 3-(furan-2-yl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one.
What is the SMILES notation for 3-(furan-2-yl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The canonical SMILES for 3-(furan-2-yl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one is COc1ccc(N2C(=O)C3CSC(c4ccco4)N3C2=S)cc1.
What is the InChIKey of 3-(furan-2-yl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The InChIKey is UPZKKMALLADIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S2/c1-20-11-6-4-10(5-7-11)17-14(19)12-9-23-15(18(12)16(17)22)13-3-2-8-21-13/h2-8,12,15H,9H2,1H3.
What are the key properties of 3-(furan-2-yl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
3-(furan-2-yl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one has a molecular weight of 346.43 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one is sourced from PubChem (CID 5296295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).