6-[[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine

C23H19N5OS — CID 123705303

IUPAC6-[[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
SMILESCc1nc(-c2ccc(-c3cc(Oc4ccc5nc(N)sc5c4)ccn3)cc2)[nH]c1C
InChIInChI=1S/C23H19N5OS/c1-13-14(2)27-22(26-13)16-5-3-15(4-6-16)20-11-18(9-10-25-20)29-17-7-8-19-21(12-17)30-23(24)28-19/h3-12H,1-2H3,(H2,24,28)(H,26,27)
InChIKeyFVSKUSXLUCZREY-UHFFFAOYSA-N
MW413.51 g/mol
LogP5.74
Rot. Bonds4

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

6-[[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine (PubChem CID 123705303) has the molecular formula C23H19N5OS and a molecular weight of 413.51 g/mol. Its IUPAC name is 6-[[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
PubChem CID123705303
Molecular FormulaC23H19N5OS
Molecular Weight413.51 g/mol
Exact Mass413.13
IUPAC Name6-[[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
SMILESCc1nc(-c2ccc(-c3cc(Oc4ccc5nc(N)sc5c4)ccn3)cc2)[nH]c1C
InChIInChI=1S/C23H19N5OS/c1-13-14(2)27-22(26-13)16-5-3-15(4-6-16)20-11-18(9-10-25-20)29-17-7-8-19-21(12-17)30-23(24)28-19/h3-12H,1-2H3,(H2,24,28)(H,26,27)
InChIKeyFVSKUSXLUCZREY-UHFFFAOYSA-N
XLogP5.74
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.51
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine (CID 123705303) is 6-[[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine is Cc1nc(-c2ccc(-c3cc(Oc4ccc5nc(N)sc5c4)ccn3)cc2)[nH]c1C.
What is the InChIKey of 6-[[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
The InChIKey is FVSKUSXLUCZREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5OS/c1-13-14(2)27-22(26-13)16-5-3-15(4-6-16)20-11-18(9-10-25-20)29-17-7-8-19-21(12-17)30-23(24)28-19/h3-12H,1-2H3,(H2,24,28)(H,26,27).
What are the key properties of 6-[[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
6-[[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine has a molecular weight of 413.51 g/mol, XLogP of 5.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 123705303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).