trans-(1S,2S)-2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol

C16H17ClN4OS — CID 133495361

IUPACtrans-(1S,2S)-2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1nn2cc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C16H17ClN4OS/c17-11-7-5-10(6-8-11)13-9-21-16(19-13)23-15(20-21)18-12-3-1-2-4-14(12)22/h5-9,12,14,22H,1-4H2,(H,18,20)/t12-,14-/m0/s1
InChIKeyYAEBNPMUZCSLCK-JSGCOSHPSA-N
MW348.86 g/mol
LogP3.83
Rot. Bonds3

About trans-(1S,2S)-2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol

trans-(1S,2S)-2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol (PubChem CID 133495361) has the molecular formula C16H17ClN4OS and a molecular weight of 348.86 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
PubChem CID133495361
Molecular FormulaC16H17ClN4OS
Molecular Weight348.86 g/mol
Exact Mass348.08
IUPAC Nametrans-(1S,2S)-2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1nn2cc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C16H17ClN4OS/c17-11-7-5-10(6-8-11)13-9-21-16(19-13)23-15(20-21)18-12-3-1-2-4-14(12)22/h5-9,12,14,22H,1-4H2,(H,18,20)/t12-,14-/m0/s1
InChIKeyYAEBNPMUZCSLCK-JSGCOSHPSA-N
XLogP3.83
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenol
CID 67221140
6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133494363
6-(4-chlorophenyl)-N-(6-oxaspiro[4.5]decan-9-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133494862
3-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]propane-1,2-diol
CID 133494882
N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 127470241
6-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209571
4-[2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 133494424
2-[2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]cyclopentyl]ethanol
CID 133496512
1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclopropylpiperidin-4-amine
CID 133494909
6-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67220988
6-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221786
ethyl (3R)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxylate
CID 133494741

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol (CID 133495361) is trans-(1S,2S)-2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1Nc1nn2cc(-c3ccc(Cl)cc3)nc2s1.
What is the InChIKey of trans-(1S,2S)-2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
The InChIKey is YAEBNPMUZCSLCK-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H17ClN4OS/c17-11-7-5-10(6-8-11)13-9-21-16(19-13)23-15(20-21)18-12-3-1-2-4-14(12)22/h5-9,12,14,22H,1-4H2,(H,18,20)/t12-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol has a molecular weight of 348.86 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 133495361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).