1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanol

C24H20N2O3S — CID 59326869

IUPAC1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanol
SMILESOC(c1ccc(Oc2ncccc2C2=CCOCC2)cc1)c1nc2ccccc2s1
InChIInChI=1S/C24H20N2O3S/c27-22(24-26-20-5-1-2-6-21(20)30-24)17-7-9-18(10-8-17)29-23-19(4-3-13-25-23)16-11-14-28-15-12-16/h1-11,13,22,27H,12,14-15H2
InChIKeyDTVHUEDBWSJMNB-UHFFFAOYSA-N
MW416.50 g/mol
LogP5.37
Rot. Bonds5

About 1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanol

1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanol (PubChem CID 59326869) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanol.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanol
PubChem CID59326869
Molecular FormulaC24H20N2O3S
Molecular Weight416.50 g/mol
Exact Mass416.12
IUPAC Name1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanol
SMILESOC(c1ccc(Oc2ncccc2C2=CCOCC2)cc1)c1nc2ccccc2s1
InChIInChI=1S/C24H20N2O3S/c27-22(24-26-20-5-1-2-6-21(20)30-24)17-7-9-18(10-8-17)29-23-19(4-3-13-25-23)16-11-14-28-15-12-16/h1-11,13,22,27H,12,14-15H2
InChIKeyDTVHUEDBWSJMNB-UHFFFAOYSA-N
XLogP5.37
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenoxy]ethyl}-4-phenylpiperidin-4-ol
CID 11155062
1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenyl]ethyl}piperidin-4-ol
CID 11416924
1-{[4-(1,3-Benzothiazol-2-yloxy)phenyl]methyl}piperidin-4-ol
CID 11473281
(R)-2-(2-(4-(2-ethylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 9947512
(R)-1-(pyridin-3-yl)-2-(2-(4-(2-(pyridin-4-yl)thiazol-4-yl)phenoxy)ethylamino)ethanol
CID 10112744
(R)-2-(2-(4-(2-methylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 10132882
(R)-2-(2-(4-(2-phenylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 10273469
(R)-1-(pyridin-3-yl)-2-(2-(4-(thiazol-4-yl)phenoxy)ethylamino)ethanol
CID 10291064
(1R)-1-(pyridin-3-yl)-2-(2-(4-(2-(pyridin-3-yl)thiazol-4-yl)phenoxy)ethylamino)ethanol
CID 44444378
2-(Chroman-3-yl)-6-(pyridin-4-yl)benzo[d]thiazole
CID 46879639
2-[4-(Piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[5,4-c]pyridine
CID 57448310
trans-(1S,3S)-3-[2-[4-(1,3-benzothiazol-2-ylamino)phenoxy]-3-pyridinyl]cyclohexan-1-ol
CID 46215200

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanol?
The IUPAC name of 1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanol (CID 59326869) is 1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanol.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanol?
The canonical SMILES for 1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanol is OC(c1ccc(Oc2ncccc2C2=CCOCC2)cc1)c1nc2ccccc2s1.
What is the InChIKey of 1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanol?
The InChIKey is DTVHUEDBWSJMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3S/c27-22(24-26-20-5-1-2-6-21(20)30-24)17-7-9-18(10-8-17)29-23-19(4-3-13-25-23)16-11-14-28-15-12-16/h1-11,13,22,27H,12,14-15H2.
What are the key properties of 1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanol?
1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanol has a molecular weight of 416.50 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanol is sourced from PubChem (CID 59326869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).