3,6-bis(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one

C17H12Cl2N2OS2 — CID 3556780

IUPAC3,6-bis(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
SMILESO=C1C2CSC(c3ccc(Cl)cc3)N2C(=S)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N2OS2/c18-11-3-1-10(2-4-11)16-21-14(9-24-16)15(22)20(17(21)23)13-7-5-12(19)6-8-13/h1-8,14,16H,9H2
InChIKeyGFBAPUHTSGRVHK-UHFFFAOYSA-N
MW395.34 g/mol
LogP4.74
Rot. Bonds2

About 3,6-bis(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one

3,6-bis(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one (PubChem CID 3556780) has the molecular formula C17H12Cl2N2OS2 and a molecular weight of 395.34 g/mol. Its IUPAC name is 3,6-bis(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one.

Molecular Properties

Compound Name3,6-bis(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
PubChem CID3556780
Molecular FormulaC17H12Cl2N2OS2
Molecular Weight395.34 g/mol
Exact Mass393.98
IUPAC Name3,6-bis(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
SMILESO=C1C2CSC(c3ccc(Cl)cc3)N2C(=S)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N2OS2/c18-11-3-1-10(2-4-11)16-21-14(9-24-16)15(22)20(17(21)23)13-7-5-12(19)6-8-13/h1-8,14,16H,9H2
InChIKeyGFBAPUHTSGRVHK-UHFFFAOYSA-N
XLogP4.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7aR)-3,6-bis(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 17385931
(7aR)-3-(4-chlorophenyl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 17038565
(3S,7aS)-6-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 28958391
6-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 5039686
3-(4-chlorophenyl)-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 4516570
(3R,7aS)-6-(4-chlorophenyl)-3-(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 6559091
(3S,7aR)-3-(4-bromophenyl)-6-(3,4-dichlorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 1282122
(7aR)-6-(4-fluorophenyl)-5-sulfanylidene-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 5295182
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-(4-ethoxyphenyl)-6-phenyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 5295362
methyl 4-[(7aR)-6-(4-ethoxycarbonylphenyl)-7-oxo-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-3-yl]benzoate
CID 5295359
(3R,7aR)-3,6-bis(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 7333548

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The IUPAC name of 3,6-bis(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one (CID 3556780) is 3,6-bis(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one.
What is the SMILES notation for 3,6-bis(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The canonical SMILES for 3,6-bis(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one is O=C1C2CSC(c3ccc(Cl)cc3)N2C(=S)N1c1ccc(Cl)cc1.
What is the InChIKey of 3,6-bis(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The InChIKey is GFBAPUHTSGRVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2OS2/c18-11-3-1-10(2-4-11)16-21-14(9-24-16)15(22)20(17(21)23)13-7-5-12(19)6-8-13/h1-8,14,16H,9H2.
What are the key properties of 3,6-bis(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
3,6-bis(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one has a molecular weight of 395.34 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one is sourced from PubChem (CID 3556780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).