(3aR,6aR)-2,5-dithiophen-2-yl-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole

C12H8N2S4 — CID 100816758

IUPAC(3aR,6aR)-2,5-dithiophen-2-yl-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESc1csc(C2=N[C@@H]3SC(c4cccs4)=N[C@@H]3S2)c1
InChIInChI=1S/C12H8N2S4/c1-3-7(15-5-1)9-13-11-12(17-9)14-10(18-11)8-4-2-6-16-8/h1-6,11-12H/t11-,12-/m1/s1
InChIKeyOWGONMGDVRAGSN-VXGBXAGGSA-N
MW308.48 g/mol
LogP4.15
Rot. Bonds2

About (3aR,6aR)-2,5-dithiophen-2-yl-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole

(3aR,6aR)-2,5-dithiophen-2-yl-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole (PubChem CID 100816758) has the molecular formula C12H8N2S4 and a molecular weight of 308.48 g/mol. Its IUPAC name is (3aR,6aR)-2,5-dithiophen-2-yl-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name(3aR,6aR)-2,5-dithiophen-2-yl-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole
PubChem CID100816758
Molecular FormulaC12H8N2S4
Molecular Weight308.48 g/mol
Exact Mass307.96
IUPAC Name(3aR,6aR)-2,5-dithiophen-2-yl-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESc1csc(C2=N[C@@H]3SC(c4cccs4)=N[C@@H]3S2)c1
InChIInChI=1S/C12H8N2S4/c1-3-7(15-5-1)9-13-11-12(17-9)14-10(18-11)8-4-2-6-16-8/h1-6,11-12H/t11-,12-/m1/s1
InChIKeyOWGONMGDVRAGSN-VXGBXAGGSA-N
XLogP4.15
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.48
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aR,6aR)-2,5-dithiophen-2-yl-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole with MolForge

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Related Compounds

(6R)-3-thiophen-2-yl-2-azabicyclo[4.1.0]hepta-2,4-diene
CID 70330479
2-bromo-5-thiophen-2-ylpyrimidine
CID 66520182
thiophene;2-thiophen-2-ylthiophene
CID 158809122
2-thiophen-2-ylthiophene;triazine
CID 175444863
6-hydroxy-3-thiophen-2-yl-1,4,2-oxathiazin-5-one
CID 90689330
5-bromo-4,6-dithiophen-2-ylpyrimidine
CID 134693324
5-methyl-2-thiophen-2-yl-7aH-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118988013
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
2-(3,5-dibromophenyl)thiophene
CID 19006176
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
3,6-dithiophen-2-yldithiine
CID 86180239

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-2,5-dithiophen-2-yl-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole?
The IUPAC name of (3aR,6aR)-2,5-dithiophen-2-yl-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole (CID 100816758) is (3aR,6aR)-2,5-dithiophen-2-yl-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for (3aR,6aR)-2,5-dithiophen-2-yl-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole?
The canonical SMILES for (3aR,6aR)-2,5-dithiophen-2-yl-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole is c1csc(C2=N[C@@H]3SC(c4cccs4)=N[C@@H]3S2)c1.
What is the InChIKey of (3aR,6aR)-2,5-dithiophen-2-yl-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole?
The InChIKey is OWGONMGDVRAGSN-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H8N2S4/c1-3-7(15-5-1)9-13-11-12(17-9)14-10(18-11)8-4-2-6-16-8/h1-6,11-12H/t11-,12-/m1/s1.
What are the key properties of (3aR,6aR)-2,5-dithiophen-2-yl-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole?
(3aR,6aR)-2,5-dithiophen-2-yl-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole has a molecular weight of 308.48 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-2,5-dithiophen-2-yl-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 100816758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).