6-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole

C18H18N6S — CID 178051022

IUPAC6-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1cc(-c2nn3cc(C4[C@H]5CNC[C@@H]45)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C18H18N6S/c1-9-3-10(4-11-7-23(2)21-16(9)11)17-22-24-8-14(20-18(24)25-17)15-12-5-19-6-13(12)15/h3-4,7-8,12-13,15,19H,5-6H2,1-2H3/t12-,13+,15?
InChIKeyKFHMRURVVLTRRE-NNQSOWQGSA-N
MW350.45 g/mol
LogP2.59
Rot. Bonds2

About 6-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole

6-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 178051022) has the molecular formula C18H18N6S and a molecular weight of 350.45 g/mol. Its IUPAC name is 6-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID178051022
Molecular FormulaC18H18N6S
Molecular Weight350.45 g/mol
Exact Mass350.13
IUPAC Name6-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1cc(-c2nn3cc(C4[C@H]5CNC[C@@H]45)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C18H18N6S/c1-9-3-10(4-11-7-23(2)21-16(9)11)17-22-24-8-14(20-18(24)25-17)15-12-5-19-6-13(12)15/h3-4,7-8,12-13,15,19H,5-6H2,1-2H3/t12-,13+,15?
InChIKeyKFHMRURVVLTRRE-NNQSOWQGSA-N
XLogP2.59
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole with MolForge

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Related Compounds

2-[(1R)-3-[2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]cyclopentyl]-N-methylethanamine
CID 178051052
2-(7-ethynyl-2-methylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 178051151
tert-butyl 5-[2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]azocane-1-carboxylate
CID 178051128
2-(6-fluoro-2,7-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 178050881
6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
CID 178050596
6-(6-azaspiro[3.4]octan-2-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
CID 178050682
5-(2,7-dimethylindazol-5-yl)-2-[(3S,4S)-3-fluoropiperidin-4-yl]pyrazolo[4,3-d][1,3]thiazole
CID 168979373
2-(2,7-dimethylindazol-5-yl)-5-methyl-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050706
6-(2,7-dimethylindazol-5-yl)-7-methyl-4-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride
CID 156757727
2-(7-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 178051115
6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
CID 153383029
ethane;2,5,7-trimethylindazole
CID 156845071

Frequently Asked Questions

What is the IUPAC name of 6-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 178051022) is 6-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole is Cc1cc(-c2nn3cc(C4[C@H]5CNC[C@@H]45)nc3s2)cc2cn(C)nc12.
What is the InChIKey of 6-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is KFHMRURVVLTRRE-NNQSOWQGSA-N. The full InChI is InChI=1S/C18H18N6S/c1-9-3-10(4-11-7-23(2)21-16(9)11)17-22-24-8-14(20-18(24)25-17)15-12-5-19-6-13(12)15/h3-4,7-8,12-13,15,19H,5-6H2,1-2H3/t12-,13+,15?.
What are the key properties of 6-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole?
6-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 350.45 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 178051022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).