(4aS,8aS)-1-(2,6-difluorophenyl)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole

C15H14F2N2S — CID 9420476

IUPAC(4aS,8aS)-1-(2,6-difluorophenyl)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESFc1cccc(F)c1C1=CSC2=N[C@H]3CCCC[C@@H]3N12
InChIInChI=1S/C15H14F2N2S/c16-9-4-3-5-10(17)14(9)13-8-20-15-18-11-6-1-2-7-12(11)19(13)15/h3-5,8,11-12H,1-2,6-7H2/t11-,12-/m0/s1
InChIKeyUNLAVDZMVDSSCB-RYUDHWBXSA-N
MW292.35 g/mol
LogP3.99
Rot. Bonds1

About (4aS,8aS)-1-(2,6-difluorophenyl)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole

(4aS,8aS)-1-(2,6-difluorophenyl)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 9420476) has the molecular formula C15H14F2N2S and a molecular weight of 292.35 g/mol. Its IUPAC name is (4aS,8aS)-1-(2,6-difluorophenyl)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name(4aS,8aS)-1-(2,6-difluorophenyl)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID9420476
Molecular FormulaC15H14F2N2S
Molecular Weight292.35 g/mol
Exact Mass292.08
IUPAC Name(4aS,8aS)-1-(2,6-difluorophenyl)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESFc1cccc(F)c1C1=CSC2=N[C@H]3CCCC[C@@H]3N12
InChIInChI=1S/C15H14F2N2S/c16-9-4-3-5-10(17)14(9)13-8-20-15-18-11-6-1-2-7-12(11)19(13)15/h3-5,8,11-12H,1-2,6-7H2/t11-,12-/m0/s1
InChIKeyUNLAVDZMVDSSCB-RYUDHWBXSA-N
XLogP3.99
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4aS,8aS)-1-(2,6-difluorophenyl)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-1-(2,6-difluorophenyl)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of (4aS,8aS)-1-(2,6-difluorophenyl)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole (CID 9420476) is (4aS,8aS)-1-(2,6-difluorophenyl)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for (4aS,8aS)-1-(2,6-difluorophenyl)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for (4aS,8aS)-1-(2,6-difluorophenyl)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole is Fc1cccc(F)c1C1=CSC2=N[C@H]3CCCC[C@@H]3N12.
What is the InChIKey of (4aS,8aS)-1-(2,6-difluorophenyl)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is UNLAVDZMVDSSCB-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H14F2N2S/c16-9-4-3-5-10(17)14(9)13-8-20-15-18-11-6-1-2-7-12(11)19(13)15/h3-5,8,11-12H,1-2,6-7H2/t11-,12-/m0/s1.
What are the key properties of (4aS,8aS)-1-(2,6-difluorophenyl)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole?
(4aS,8aS)-1-(2,6-difluorophenyl)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 292.35 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-1-(2,6-difluorophenyl)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 9420476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).