(3aR,6aR)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole

C13H18N4OS2 — CID 162532319

IUPAC(3aR,6aR)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole
SMILESCC1(C)CN2C(CSC3=N[C@H]4COC[C@@H]4N3)=CSC2=N1
InChIInChI=1S/C13H18N4OS2/c1-13(2)7-17-8(6-20-12(17)16-13)5-19-11-14-9-3-18-4-10(9)15-11/h6,9-10H,3-5,7H2,1-2H3,(H,14,15)/t9-,10-/m0/s1
InChIKeyYNVRYVOJEDSGNN-UWVGGRQHSA-N
MW310.45 g/mol
LogP1.48
Rot. Bonds2

About (3aR,6aR)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole

(3aR,6aR)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole (PubChem CID 162532319) has the molecular formula C13H18N4OS2 and a molecular weight of 310.45 g/mol. Its IUPAC name is (3aR,6aR)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole.

Molecular Properties

Compound Name(3aR,6aR)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole
PubChem CID162532319
Molecular FormulaC13H18N4OS2
Molecular Weight310.45 g/mol
Exact Mass310.09
IUPAC Name(3aR,6aR)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole
SMILESCC1(C)CN2C(CSC3=N[C@H]4COC[C@@H]4N3)=CSC2=N1
InChIInChI=1S/C13H18N4OS2/c1-13(2)7-17-8(6-20-12(17)16-13)5-19-11-14-9-3-18-4-10(9)15-11/h6,9-10H,3-5,7H2,1-2H3,(H,14,15)/t9-,10-/m0/s1
InChIKeyYNVRYVOJEDSGNN-UWVGGRQHSA-N
XLogP1.48
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3aR,6aR)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole?
The IUPAC name of (3aR,6aR)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole (CID 162532319) is (3aR,6aR)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole.
What is the SMILES notation for (3aR,6aR)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole?
The canonical SMILES for (3aR,6aR)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole is CC1(C)CN2C(CSC3=N[C@H]4COC[C@@H]4N3)=CSC2=N1.
What is the InChIKey of (3aR,6aR)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole?
The InChIKey is YNVRYVOJEDSGNN-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H18N4OS2/c1-13(2)7-17-8(6-20-12(17)16-13)5-19-11-14-9-3-18-4-10(9)15-11/h6,9-10H,3-5,7H2,1-2H3,(H,14,15)/t9-,10-/m0/s1.
What are the key properties of (3aR,6aR)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole?
(3aR,6aR)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole has a molecular weight of 310.45 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole is sourced from PubChem (CID 162532319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).