2-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine

C23H30Cl2N6S — CID 155403171

IUPAC2-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESCC(C)(C)CC(C)(C)Nc1c(-c2cccc(Cl)c2Cl)nc2sc(N3C[C@@H]4C(N)[C@@H]4C3)nn12
InChIInChI=1S/C23H30Cl2N6S/c1-22(2,3)11-23(4,5)28-19-18(12-7-6-8-15(24)16(12)25)27-20-31(19)29-21(32-20)30-9-13-14(10-30)17(13)26/h6-8,13-14,17,28H,9-11,26H2,1-5H3/t13-,14+,17?
InChIKeyTVRVGBLDXPQVQT-VMZNBEPHSA-N
MW493.51 g/mol
LogP5.78
Rot. Bonds5

About 2-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine

2-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine (PubChem CID 155403171) has the molecular formula C23H30Cl2N6S and a molecular weight of 493.51 g/mol. Its IUPAC name is 2-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine.

Molecular Properties

Compound Name2-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
PubChem CID155403171
Molecular FormulaC23H30Cl2N6S
Molecular Weight493.51 g/mol
Exact Mass492.16
IUPAC Name2-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESCC(C)(C)CC(C)(C)Nc1c(-c2cccc(Cl)c2Cl)nc2sc(N3C[C@@H]4C(N)[C@@H]4C3)nn12
InChIInChI=1S/C23H30Cl2N6S/c1-22(2,3)11-23(4,5)28-19-18(12-7-6-8-15(24)16(12)25)27-20-31(19)29-21(32-20)30-9-13-14(10-30)17(13)26/h6-8,13-14,17,28H,9-11,26H2,1-5H3/t13-,14+,17?
InChIKeyTVRVGBLDXPQVQT-VMZNBEPHSA-N
XLogP5.78
TPSA71.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.51
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine 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 2-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The IUPAC name of 2-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine (CID 155403171) is 2-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine.
What is the SMILES notation for 2-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The canonical SMILES for 2-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine is CC(C)(C)CC(C)(C)Nc1c(-c2cccc(Cl)c2Cl)nc2sc(N3C[C@@H]4C(N)[C@@H]4C3)nn12.
What is the InChIKey of 2-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The InChIKey is TVRVGBLDXPQVQT-VMZNBEPHSA-N. The full InChI is InChI=1S/C23H30Cl2N6S/c1-22(2,3)11-23(4,5)28-19-18(12-7-6-8-15(24)16(12)25)27-20-31(19)29-21(32-20)30-9-13-14(10-30)17(13)26/h6-8,13-14,17,28H,9-11,26H2,1-5H3/t13-,14+,17?.
What are the key properties of 2-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
2-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine has a molecular weight of 493.51 g/mol, XLogP of 5.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine is sourced from PubChem (CID 155403171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).