1,3-benzothiazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone

C24H15N3O2S — CID 59327158

IUPAC1,3-benzothiazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2-c2cccnc2)cc1)c1nc2ccccc2s1
InChIInChI=1S/C24H15N3O2S/c28-22(24-27-20-7-1-2-8-21(20)30-24)16-9-11-18(12-10-16)29-23-19(6-4-14-26-23)17-5-3-13-25-15-17/h1-15H
InChIKeyWQJDYUFHEJWBDV-UHFFFAOYSA-N
MW409.47 g/mol
LogP5.78
Rot. Bonds5

About 1,3-benzothiazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone

1,3-benzothiazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone (PubChem CID 59327158) has the molecular formula C24H15N3O2S and a molecular weight of 409.47 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone
PubChem CID59327158
Molecular FormulaC24H15N3O2S
Molecular Weight409.47 g/mol
Exact Mass409.09
IUPAC Name1,3-benzothiazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2-c2cccnc2)cc1)c1nc2ccccc2s1
InChIInChI=1S/C24H15N3O2S/c28-22(24-27-20-7-1-2-8-21(20)30-24)16-9-11-18(12-10-16)29-23-19(6-4-14-26-23)17-5-3-13-25-15-17/h1-15H
InChIKeyWQJDYUFHEJWBDV-UHFFFAOYSA-N
XLogP5.78
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.47
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Benzo[d]thiazol-2-yl(4-(3-morpholinopyrazin-2-yloxy)phenyl)methanone
CID 46208937
[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl][4-(2-methylpropoxy)phenyl]methanone
CID 9218734
4-[3-[4-[(2-Benzothiazolyl)carbonyl]-1-piperidinyl]propoxy]benzoic acid methyl ester
CID 15337463
4-[2-[4-(2-Benzothiazolylcarbonyl)phenoxy]-3-pyridinyl]benzonitrile
CID 46214382
1,3-Benzothiazol-2-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]phenyl]methanone
CID 46214384
2-[[4-[[3-(2-Methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methyl]-1,3-benzothiazole
CID 86766333
(4-Acetylphenyl) 3-(1,3-benzothiazol-2-yl)propanoate
CID 2400086
4-Benzothiazol-2-ylpiperidyl 4-propoxyphenyl ketone
CID 9218736
Benzo[d]thiazol-2-yl(4-(3-bromopyridin-2-yloxy)phenyl)methanone
CID 59326775
(4-(Benzo[d]thiazol-2-yl)piperidin-1-yl)(4-isopropoxyphenyl)methanone
CID 9218733
Benzo[d]thiazol-2-yl(4-methoxyphenyl)methanone
CID 20257303
1,3-Benzothiazol-2-yl-(4-ethoxyphenyl)methanone
CID 2344628

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone (CID 59327158) is 1,3-benzothiazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone is O=C(c1ccc(Oc2ncccc2-c2cccnc2)cc1)c1nc2ccccc2s1.
What is the InChIKey of 1,3-benzothiazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone?
The InChIKey is WQJDYUFHEJWBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O2S/c28-22(24-27-20-7-1-2-8-21(20)30-24)16-9-11-18(12-10-16)29-23-19(6-4-14-26-23)17-5-3-13-25-15-17/h1-15H.
What are the key properties of 1,3-benzothiazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone?
1,3-benzothiazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone has a molecular weight of 409.47 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone is sourced from PubChem (CID 59327158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).