N-(1-cyclohexylethyl)-6-[(2-pyridin-3-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine

C25H26N4OS — CID 87589252

IUPACN-(1-cyclohexylethyl)-6-[(2-pyridin-3-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine
SMILESCC(Nc1nc2ccc(Oc3ccnc(-c4cccnc4)c3)cc2s1)C1CCCCC1
InChIInChI=1S/C25H26N4OS/c1-17(18-6-3-2-4-7-18)28-25-29-22-10-9-20(15-24(22)31-25)30-21-11-13-27-23(14-21)19-8-5-12-26-16-19/h5,8-18H,2-4,6-7H2,1H3,(H,28,29)
InChIKeyOPAFOXCKTBJOBH-UHFFFAOYSA-N
MW430.58 g/mol
LogP6.93
Rot. Bonds6

About N-(1-cyclohexylethyl)-6-[(2-pyridin-3-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine

N-(1-cyclohexylethyl)-6-[(2-pyridin-3-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine (PubChem CID 87589252) has the molecular formula C25H26N4OS and a molecular weight of 430.58 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-6-[(2-pyridin-3-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-6-[(2-pyridin-3-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine
PubChem CID87589252
Molecular FormulaC25H26N4OS
Molecular Weight430.58 g/mol
Exact Mass430.18
IUPAC NameN-(1-cyclohexylethyl)-6-[(2-pyridin-3-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine
SMILESCC(Nc1nc2ccc(Oc3ccnc(-c4cccnc4)c3)cc2s1)C1CCCCC1
InChIInChI=1S/C25H26N4OS/c1-17(18-6-3-2-4-7-18)28-25-29-22-10-9-20(15-24(22)31-25)30-21-11-13-27-23(14-21)19-8-5-12-26-16-19/h5,8-18H,2-4,6-7H2,1H3,(H,28,29)
InChIKeyOPAFOXCKTBJOBH-UHFFFAOYSA-N
XLogP6.93
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.58
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-cyclohexylethyl)-6-[(2-pyridin-3-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(1-cyclohexylethyl)-6-[[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 87421423
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-[(1S)-1-cyclohexylethyl]-6-[[2-[1-(2-methoxyethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;methane
CID 162193572
2-cyclohexyl-2-[[6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]ethanol
CID 87421244
N-cyclohexyl-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89325676
N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine
CID 89325661
N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89225564
6-[[2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-cyclohexyl-1,3-benzothiazol-2-amine
CID 89325539
N-cyclohexyl-6-[[2-[1-(2-methoxyethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89325750
trans-(1R,2R)-2-[(6-pyridin-3-yloxy-1,3-benzothiazol-2-yl)amino]cyclohexan-1-ol
CID 59333446
N-cyclohexyl-6-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89225496
4-[[2-[(1-cyclohexyl-3-hydroxypropan-2-yl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 87421242

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-6-[(2-pyridin-3-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine?
The IUPAC name of N-(1-cyclohexylethyl)-6-[(2-pyridin-3-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine (CID 87589252) is N-(1-cyclohexylethyl)-6-[(2-pyridin-3-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-6-[(2-pyridin-3-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-6-[(2-pyridin-3-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine is CC(Nc1nc2ccc(Oc3ccnc(-c4cccnc4)c3)cc2s1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-6-[(2-pyridin-3-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine?
The InChIKey is OPAFOXCKTBJOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4OS/c1-17(18-6-3-2-4-7-18)28-25-29-22-10-9-20(15-24(22)31-25)30-21-11-13-27-23(14-21)19-8-5-12-26-16-19/h5,8-18H,2-4,6-7H2,1H3,(H,28,29).
What are the key properties of N-(1-cyclohexylethyl)-6-[(2-pyridin-3-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine?
N-(1-cyclohexylethyl)-6-[(2-pyridin-3-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine has a molecular weight of 430.58 g/mol, XLogP of 6.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-6-[(2-pyridin-3-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 87589252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).