N-(cyclohexen-1-yl)-6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine

C22H21N5OS — CID 131968223

IUPACN-(cyclohexen-1-yl)-6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
SMILESCc1cnc(-c2cc(Oc3ccc4nc(NC5=CCCCC5)sc4c3)ccn2)[nH]1
InChIInChI=1S/C22H21N5OS/c1-14-13-24-21(25-14)19-11-17(9-10-23-19)28-16-7-8-18-20(12-16)29-22(27-18)26-15-5-3-2-4-6-15/h5,7-13H,2-4,6H2,1H3,(H,24,25)(H,26,27)
InChIKeyCYNPWXZBISIISN-UHFFFAOYSA-N
MW403.51 g/mol
LogP6.05
Rot. Bonds5

About N-(cyclohexen-1-yl)-6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine

N-(cyclohexen-1-yl)-6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine (PubChem CID 131968223) has the molecular formula C22H21N5OS and a molecular weight of 403.51 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
PubChem CID131968223
Molecular FormulaC22H21N5OS
Molecular Weight403.51 g/mol
Exact Mass403.15
IUPAC NameN-(cyclohexen-1-yl)-6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
SMILESCc1cnc(-c2cc(Oc3ccc4nc(NC5=CCCCC5)sc4c3)ccn2)[nH]1
InChIInChI=1S/C22H21N5OS/c1-14-13-24-21(25-14)19-11-17(9-10-23-19)28-16-7-8-18-20(12-16)29-22(27-18)26-15-5-3-2-4-6-15/h5,7-13H,2-4,6H2,1H3,(H,24,25)(H,26,27)
InChIKeyCYNPWXZBISIISN-UHFFFAOYSA-N
XLogP6.05
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[[6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]pentan-1-ol
CID 87421347
N-(1-cyclohexylethyl)-6-[[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 87421423
4-[[2-(cyclohexylmethylamino)-1,3-benzothiazol-6-yl]oxy]pyridine-2-carbaldehyde;N-(cyclohexylmethyl)-6-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;3,3-dibromo-1,1,1-trifluoropropan-2-one
CID 159035363
(2S)-1-[[6-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 162583746
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-(1-cyclohexylethyl)-6-[(2-pyridin-3-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine
CID 87589252
6-[[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 123705303
N-cyclohexyl-6-[[2-(2-cyclopropylethynyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 143564351
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484
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-[[2-(iodomethyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 89325717

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
The IUPAC name of N-(cyclohexen-1-yl)-6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine (CID 131968223) is N-(cyclohexen-1-yl)-6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(cyclohexen-1-yl)-6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(cyclohexen-1-yl)-6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine is Cc1cnc(-c2cc(Oc3ccc4nc(NC5=CCCCC5)sc4c3)ccn2)[nH]1.
What is the InChIKey of N-(cyclohexen-1-yl)-6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
The InChIKey is CYNPWXZBISIISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5OS/c1-14-13-24-21(25-14)19-11-17(9-10-23-19)28-16-7-8-18-20(12-16)29-22(27-18)26-15-5-3-2-4-6-15/h5,7-13H,2-4,6H2,1H3,(H,24,25)(H,26,27).
What are the key properties of N-(cyclohexen-1-yl)-6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
N-(cyclohexen-1-yl)-6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine has a molecular weight of 403.51 g/mol, XLogP of 6.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 131968223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).