[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-imidazo[2,1-b][1,3]benzothiazol-2-ylmethanone

C24H17N5O2S — CID 46919517

IUPAC[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-imidazo[2,1-b][1,3]benzothiazol-2-ylmethanone
SMILESO=C(c1cn2c(n1)sc1ccccc12)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C24H17N5O2S/c30-21-9-3-1-7-16(21)20-12-17(15-6-5-11-25-13-15)27-29(20)23(31)18-14-28-19-8-2-4-10-22(19)32-24(28)26-18/h1-11,13-14,20,30H,12H2
InChIKeyILBQALSZULTGSU-UHFFFAOYSA-N
MW439.50 g/mol
LogP4.64
Rot. Bonds3

About [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-imidazo[2,1-b][1,3]benzothiazol-2-ylmethanone

[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-imidazo[2,1-b][1,3]benzothiazol-2-ylmethanone (PubChem CID 46919517) has the molecular formula C24H17N5O2S and a molecular weight of 439.50 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-imidazo[2,1-b][1,3]benzothiazol-2-ylmethanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-imidazo[2,1-b][1,3]benzothiazol-2-ylmethanone
PubChem CID46919517
Molecular FormulaC24H17N5O2S
Molecular Weight439.50 g/mol
Exact Mass439.11
IUPAC Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-imidazo[2,1-b][1,3]benzothiazol-2-ylmethanone
SMILESO=C(c1cn2c(n1)sc1ccccc12)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C24H17N5O2S/c30-21-9-3-1-7-16(21)20-12-17(15-6-5-11-25-13-15)27-29(20)23(31)18-14-28-19-8-2-4-10-22(19)32-24(28)26-18/h1-11,13-14,20,30H,12H2
InChIKeyILBQALSZULTGSU-UHFFFAOYSA-N
XLogP4.64
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-Imidazo[2,1-b][1,3]benzothiazol-2-ylphenol
CID 12926129
Imidazo[2,1-b][1,3]thiazol-6-yl-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone
CID 42170550
N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-N-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide
CID 140054866
N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-N-methyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
CID 140054894
N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6-fluoro-N-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide
CID 140054916
[4-[[2-(Difluoromethoxy)phenyl]methyl]-1,4-diazepan-1-yl]-imidazo[2,1-b][1,3]benzothiazol-2-ylmethanone
CID 24735286
2-(7-Thia-2,5,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-4-yl)phenol
CID 20296300
(3-Benzyl-2-methylsulfanylimidazol-4-yl)-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 59463167
2-Imidazo[2,1-b][1,3]benzothiazol-1-ylphenol
CID 70499762
6-hydroxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide
CID 126617735
6-[2-[(Piperidin-4-ylcarbamoylamino)methyl]phenoxy]imidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid
CID 135369388
2-(2-hydroxyphenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571770

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-imidazo[2,1-b][1,3]benzothiazol-2-ylmethanone?
The IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-imidazo[2,1-b][1,3]benzothiazol-2-ylmethanone (CID 46919517) is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-imidazo[2,1-b][1,3]benzothiazol-2-ylmethanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-imidazo[2,1-b][1,3]benzothiazol-2-ylmethanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-imidazo[2,1-b][1,3]benzothiazol-2-ylmethanone is O=C(c1cn2c(n1)sc1ccccc12)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-imidazo[2,1-b][1,3]benzothiazol-2-ylmethanone?
The InChIKey is ILBQALSZULTGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O2S/c30-21-9-3-1-7-16(21)20-12-17(15-6-5-11-25-13-15)27-29(20)23(31)18-14-28-19-8-2-4-10-22(19)32-24(28)26-18/h1-11,13-14,20,30H,12H2.
What are the key properties of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-imidazo[2,1-b][1,3]benzothiazol-2-ylmethanone?
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-imidazo[2,1-b][1,3]benzothiazol-2-ylmethanone has a molecular weight of 439.50 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-imidazo[2,1-b][1,3]benzothiazol-2-ylmethanone is sourced from PubChem (CID 46919517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).