(7aR)-6-phenyl-3-thiophen-2-yl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione

C15H12N2O2S2 — CID 5297946

IUPAC(7aR)-6-phenyl-3-thiophen-2-yl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESO=C1[C@@H]2CSC(c3cccs3)N2C(=O)N1c1ccccc1
InChIInChI=1S/C15H12N2O2S2/c18-13-11-9-21-14(12-7-4-8-20-12)17(11)15(19)16(13)10-5-2-1-3-6-10/h1-8,11,14H,9H2/t11-,14?/m0/s1
InChIKeyRHQSYROQZIPAOE-ZSOXZCCMSA-N
MW316.41 g/mol
LogP3.33
Rot. Bonds2

About (7aR)-6-phenyl-3-thiophen-2-yl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione

(7aR)-6-phenyl-3-thiophen-2-yl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (PubChem CID 5297946) has the molecular formula C15H12N2O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (7aR)-6-phenyl-3-thiophen-2-yl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.

Molecular Properties

Compound Name(7aR)-6-phenyl-3-thiophen-2-yl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
PubChem CID5297946
Molecular FormulaC15H12N2O2S2
Molecular Weight316.41 g/mol
Exact Mass316.03
IUPAC Name(7aR)-6-phenyl-3-thiophen-2-yl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESO=C1[C@@H]2CSC(c3cccs3)N2C(=O)N1c1ccccc1
InChIInChI=1S/C15H12N2O2S2/c18-13-11-9-21-14(12-7-4-8-20-12)17(11)15(19)16(13)10-5-2-1-3-6-10/h1-8,11,14H,9H2/t11-,14?/m0/s1
InChIKeyRHQSYROQZIPAOE-ZSOXZCCMSA-N
XLogP3.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(7aR)-3,6-diphenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 59885924
6-(4-methoxyphenyl)-5-sulfanylidene-3-thiophen-2-yl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 3403954
(3S,7aR)-6-(4-methoxyphenyl)-3-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 7732332
(7aR)-6-phenyl-3-(3,4,5-trimethoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 5294597
(3R,7aR)-3-(3-nitrophenyl)-6-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 7335199
(3R,7aR)-3,6-bis(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 7333548
(2R,6R,7R,9R,13R,14S)-4,11-diphenyl-7,14-dithiophen-2-yl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 124754344
(3R,7aS)-6-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 7268934
(3R,7aS)-6-(4-chlorophenyl)-3-(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 6559091
3-(4-chlorophenyl)-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 4516570
(7aR)-3-(4-fluorophenyl)-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 5294585
(7aR)-3-(4-ethoxyphenyl)-6-phenyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 5295362

Frequently Asked Questions

What is the IUPAC name of (7aR)-6-phenyl-3-thiophen-2-yl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The IUPAC name of (7aR)-6-phenyl-3-thiophen-2-yl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (CID 5297946) is (7aR)-6-phenyl-3-thiophen-2-yl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.
What is the SMILES notation for (7aR)-6-phenyl-3-thiophen-2-yl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The canonical SMILES for (7aR)-6-phenyl-3-thiophen-2-yl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is O=C1[C@@H]2CSC(c3cccs3)N2C(=O)N1c1ccccc1.
What is the InChIKey of (7aR)-6-phenyl-3-thiophen-2-yl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The InChIKey is RHQSYROQZIPAOE-ZSOXZCCMSA-N. The full InChI is InChI=1S/C15H12N2O2S2/c18-13-11-9-21-14(12-7-4-8-20-12)17(11)15(19)16(13)10-5-2-1-3-6-10/h1-8,11,14H,9H2/t11-,14?/m0/s1.
What are the key properties of (7aR)-6-phenyl-3-thiophen-2-yl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
(7aR)-6-phenyl-3-thiophen-2-yl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione has a molecular weight of 316.41 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-6-phenyl-3-thiophen-2-yl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is sourced from PubChem (CID 5297946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).