2-cyclohexyl-2-[[6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]ethanol

C24H27N5O2S — CID 87421244

IUPAC2-cyclohexyl-2-[[6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]ethanol
SMILESCn1cc(-c2cc(Oc3ccc4nc(NC(CO)C5CCCCC5)sc4c3)ccn2)cn1
InChIInChI=1S/C24H27N5O2S/c1-29-14-17(13-26-29)21-11-19(9-10-25-21)31-18-7-8-20-23(12-18)32-24(27-20)28-22(15-30)16-5-3-2-4-6-16/h7-14,16,22,30H,2-6,15H2,1H3,(H,27,28)
InChIKeyKMFHGDFCYVMNHA-UHFFFAOYSA-N
MW449.58 g/mol
LogP5.24
Rot. Bonds7

About 2-cyclohexyl-2-[[6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]ethanol

2-cyclohexyl-2-[[6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]ethanol (PubChem CID 87421244) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is 2-cyclohexyl-2-[[6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-cyclohexyl-2-[[6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]ethanol
PubChem CID87421244
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC Name2-cyclohexyl-2-[[6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]ethanol
SMILESCn1cc(-c2cc(Oc3ccc4nc(NC(CO)C5CCCCC5)sc4c3)ccn2)cn1
InChIInChI=1S/C24H27N5O2S/c1-29-14-17(13-26-29)21-11-19(9-10-25-21)31-18-7-8-20-23(12-18)32-24(27-20)28-22(15-30)16-5-3-2-4-6-16/h7-14,16,22,30H,2-6,15H2,1H3,(H,27,28)
InChIKeyKMFHGDFCYVMNHA-UHFFFAOYSA-N
XLogP5.24
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.58
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-cyclohexyl-2-[[6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]ethanol with MolForge

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Related Compounds

N-cyclohexyl-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89325676
N-[(1S)-1-cyclohexylethyl]-6-[[2-[1-(2-methoxyethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;methane
CID 162193572
N-[(1S)-1-cyclohexylethyl]-6-[[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;methane
CID 160513529
N-cyclohexyl-6-[[2-[1-(2-methoxyethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89325750
N-(1-cyclohexylethyl)-6-[(2-pyridin-3-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine
CID 87589252
N-cyclohexyl-6-[[2-[1-(1,3-dioxolan-2-ylmethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89325778
4-methyl-2-[[6-[[2-(1-propylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]pentan-1-ol
CID 87421594
4-[[2-[(1-cyclohexyl-3-hydroxypropan-2-yl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 87421242
N-(1-ethylsulfonylpiperidin-3-yl)-6-[[2-(1-propylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 87421252
N-(cyclohexylmethyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]quinazolin-2-amine
CID 42641401
N-(1-cyclohexylethyl)-6-[[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 87421423
6-[[2-[1-(1,3-dioxolan-2-ylmethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-N-[(1R)-2-methylidenecyclohexyl]-1,3-benzothiazol-2-amine
CID 143564432

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[[6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]ethanol?
The IUPAC name of 2-cyclohexyl-2-[[6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]ethanol (CID 87421244) is 2-cyclohexyl-2-[[6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]ethanol.
What is the SMILES notation for 2-cyclohexyl-2-[[6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]ethanol?
The canonical SMILES for 2-cyclohexyl-2-[[6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]ethanol is Cn1cc(-c2cc(Oc3ccc4nc(NC(CO)C5CCCCC5)sc4c3)ccn2)cn1.
What is the InChIKey of 2-cyclohexyl-2-[[6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]ethanol?
The InChIKey is KMFHGDFCYVMNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-29-14-17(13-26-29)21-11-19(9-10-25-21)31-18-7-8-20-23(12-18)32-24(27-20)28-22(15-30)16-5-3-2-4-6-16/h7-14,16,22,30H,2-6,15H2,1H3,(H,27,28).
What are the key properties of 2-cyclohexyl-2-[[6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]ethanol?
2-cyclohexyl-2-[[6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]ethanol has a molecular weight of 449.58 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[[6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]ethanol is sourced from PubChem (CID 87421244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).