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 155166902

IUPAC2-[(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=NC4COCC4N3)=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)
InChIKeyYNVRYVOJEDSGNN-UHFFFAOYSA-N
MW310.45 g/mol
LogP1.48
Rot. Bonds2

About 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

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 155166902) has the molecular formula C13H18N4OS2 and a molecular weight of 310.45 g/mol. Its IUPAC name is 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 Name2-[(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 CID155166902
Molecular FormulaC13H18N4OS2
Molecular Weight310.45 g/mol
Exact Mass310.09
IUPAC Name2-[(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=NC4COCC4N3)=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)
InChIKeyYNVRYVOJEDSGNN-UHFFFAOYSA-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 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 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 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 155166902) is 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 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 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=NC4COCC4N3)=CSC2=N1.
What is the InChIKey of 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-UHFFFAOYSA-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).
What are the key properties of 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?
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 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 155166902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).