trans-(1R,2R)-2-[(6-pyridin-3-yloxy-1,3-benzothiazol-2-yl)amino]cyclohexan-1-ol

C18H19N3O2S — CID 59333446

IUPACtrans-(1R,2R)-2-[(6-pyridin-3-yloxy-1,3-benzothiazol-2-yl)amino]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Nc1nc2ccc(Oc3cccnc3)cc2s1
InChIInChI=1S/C18H19N3O2S/c22-16-6-2-1-5-14(16)20-18-21-15-8-7-12(10-17(15)24-18)23-13-4-3-9-19-11-13/h3-4,7-11,14,16,22H,1-2,5-6H2,(H,20,21)/t14-,16-/m1/s1
InChIKeyDUHPUMUXCLKKDM-GDBMZVCRSA-N
MW341.44 g/mol
LogP4.20
Rot. Bonds4

About trans-(1R,2R)-2-[(6-pyridin-3-yloxy-1,3-benzothiazol-2-yl)amino]cyclohexan-1-ol

trans-(1R,2R)-2-[(6-pyridin-3-yloxy-1,3-benzothiazol-2-yl)amino]cyclohexan-1-ol (PubChem CID 59333446) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(6-pyridin-3-yloxy-1,3-benzothiazol-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(6-pyridin-3-yloxy-1,3-benzothiazol-2-yl)amino]cyclohexan-1-ol
PubChem CID59333446
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Nametrans-(1R,2R)-2-[(6-pyridin-3-yloxy-1,3-benzothiazol-2-yl)amino]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Nc1nc2ccc(Oc3cccnc3)cc2s1
InChIInChI=1S/C18H19N3O2S/c22-16-6-2-1-5-14(16)20-18-21-15-8-7-12(10-17(15)24-18)23-13-4-3-9-19-11-13/h3-4,7-11,14,16,22H,1-2,5-6H2,(H,20,21)/t14-,16-/m1/s1
InChIKeyDUHPUMUXCLKKDM-GDBMZVCRSA-N
XLogP4.20
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze trans-(1R,2R)-2-[(6-pyridin-3-yloxy-1,3-benzothiazol-2-yl)amino]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

trans-(1R,2R)-2-[[6-[(5-bromo-3-pyridinyl)oxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 25120618
trans-(1R,2R)-2-[[6-[[2-(iodomethyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 89325717
trans-(1R,2R)-2-[[6-[[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 59333432
[4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-6-pyridin-3-yl-3-pyridinyl]-morpholin-4-ylmethanone
CID 87421331
4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-3-methylpyridine-2-carboxylic acid
CID 172855612
(1R)-2-[[6-[(2-amino-4-pyridinyl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 135169566
trans-(1R,2R)-2-[[6-[(1-cyclopropyl-2H-pyridin-4-yl)oxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 141187551
methane;trans-(1R,2R)-2-[[6-[[2-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 160546105
6-methoxy-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 71628391
N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 7948425
N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89225564
6-methoxy-N-(2-methylcycloheptyl)-1,3-benzothiazol-2-amine
CID 79518605

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(6-pyridin-3-yloxy-1,3-benzothiazol-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(6-pyridin-3-yloxy-1,3-benzothiazol-2-yl)amino]cyclohexan-1-ol (CID 59333446) is trans-(1R,2R)-2-[(6-pyridin-3-yloxy-1,3-benzothiazol-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(6-pyridin-3-yloxy-1,3-benzothiazol-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(6-pyridin-3-yloxy-1,3-benzothiazol-2-yl)amino]cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1Nc1nc2ccc(Oc3cccnc3)cc2s1.
What is the InChIKey of trans-(1R,2R)-2-[(6-pyridin-3-yloxy-1,3-benzothiazol-2-yl)amino]cyclohexan-1-ol?
The InChIKey is DUHPUMUXCLKKDM-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-16-6-2-1-5-14(16)20-18-21-15-8-7-12(10-17(15)24-18)23-13-4-3-9-19-11-13/h3-4,7-11,14,16,22H,1-2,5-6H2,(H,20,21)/t14-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(6-pyridin-3-yloxy-1,3-benzothiazol-2-yl)amino]cyclohexan-1-ol?
trans-(1R,2R)-2-[(6-pyridin-3-yloxy-1,3-benzothiazol-2-yl)amino]cyclohexan-1-ol has a molecular weight of 341.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(6-pyridin-3-yloxy-1,3-benzothiazol-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 59333446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).