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

C12H8N2O2S2 — CID 27126590

IUPAC(3aR,6aR)-2,5-bis(furan-2-yl)-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESc1coc(C2=N[C@@H]3SC(c4ccco4)=N[C@@H]3S2)c1
InChIInChI=1S/C12H8N2O2S2/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
InChIKeyDMVXPBRJQXZWOB-VXGBXAGGSA-N
MW276.34 g/mol
LogP3.21
Rot. Bonds2

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

(3aR,6aR)-2,5-bis(furan-2-yl)-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole (PubChem CID 27126590) has the molecular formula C12H8N2O2S2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (3aR,6aR)-2,5-bis(furan-2-yl)-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name(3aR,6aR)-2,5-bis(furan-2-yl)-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole
PubChem CID27126590
Molecular FormulaC12H8N2O2S2
Molecular Weight276.34 g/mol
Exact Mass276.00
IUPAC Name(3aR,6aR)-2,5-bis(furan-2-yl)-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESc1coc(C2=N[C@@H]3SC(c4ccco4)=N[C@@H]3S2)c1
InChIInChI=1S/C12H8N2O2S2/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
InChIKeyDMVXPBRJQXZWOB-VXGBXAGGSA-N
XLogP3.21
TPSA51.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;2-(furan-2-yl)furan
CID 161366084
3-(furan-2-yl)-5-methyl-2,5-dihydro-1,2,4-oxadiazole
CID 10820747
(3aR,6aR)-2,5-dithiophen-2-yl-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 100816758
2-(2,3,4,5,6-pentafluorophenyl)furan
CID 14644888
(1R,6S)-2,5-bis(furan-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-diene
CID 101124838
5-(furan-2-yl)-2,3-dimethyl-2H-pyrrole
CID 89142714
2-bromo-5-(furan-2-yl)-1,3,4-thiadiazole
CID 63383548
5-chloro-3-(furan-2-yl)-1,2,4-thiadiazole
CID 54258007
4-(furan-2-yl)thiadiazole
CID 50905838
2-(3,5-dichlorophenyl)furan
CID 11557556
2-(furan-2-yl)-1,3,5-triazine
CID 54453407
3-(furan-2-yl)-1,2-oxazole
CID 11147745

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-2,5-bis(furan-2-yl)-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole?
The IUPAC name of (3aR,6aR)-2,5-bis(furan-2-yl)-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole (CID 27126590) is (3aR,6aR)-2,5-bis(furan-2-yl)-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for (3aR,6aR)-2,5-bis(furan-2-yl)-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole?
The canonical SMILES for (3aR,6aR)-2,5-bis(furan-2-yl)-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole is c1coc(C2=N[C@@H]3SC(c4ccco4)=N[C@@H]3S2)c1.
What is the InChIKey of (3aR,6aR)-2,5-bis(furan-2-yl)-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole?
The InChIKey is DMVXPBRJQXZWOB-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H8N2O2S2/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-bis(furan-2-yl)-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole?
(3aR,6aR)-2,5-bis(furan-2-yl)-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole has a molecular weight of 276.34 g/mol, XLogP of 3.21, 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-bis(furan-2-yl)-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 27126590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).