N-[3-(5-fluoro-3-pyridinyl)-1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide

C21H16FN5OS — CID 58265760

IUPACN-[3-(5-fluoro-3-pyridinyl)-1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)-c1c(c(-c3cncc(F)c3)nn1-c1ccccc1)CC2
InChIInChI=1S/C21H16FN5OS/c1-12(28)24-21-25-17-8-7-16-18(13-9-14(22)11-23-10-13)26-27(19(16)20(17)29-21)15-5-3-2-4-6-15/h2-6,9-11H,7-8H2,1H3,(H,24,25,28)
InChIKeyREKYFWHBIYZLGA-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.25
Rot. Bonds3

About N-[3-(5-fluoro-3-pyridinyl)-1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide

N-[3-(5-fluoro-3-pyridinyl)-1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide (PubChem CID 58265760) has the molecular formula C21H16FN5OS and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[3-(5-fluoro-3-pyridinyl)-1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide.

Molecular Properties

Compound NameN-[3-(5-fluoro-3-pyridinyl)-1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
PubChem CID58265760
Molecular FormulaC21H16FN5OS
Molecular Weight405.46 g/mol
Exact Mass405.11
IUPAC NameN-[3-(5-fluoro-3-pyridinyl)-1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)-c1c(c(-c3cncc(F)c3)nn1-c1ccccc1)CC2
InChIInChI=1S/C21H16FN5OS/c1-12(28)24-21-25-17-8-7-16-18(13-9-14(22)11-23-10-13)26-27(19(16)20(17)29-21)15-5-3-2-4-6-15/h2-6,9-11H,7-8H2,1H3,(H,24,25,28)
InChIKeyREKYFWHBIYZLGA-UHFFFAOYSA-N
XLogP4.25
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ihmt-trk-284
CID 156760472
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3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789142
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
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CID 24936732
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CID 25182286
N-(6-(2-(2-Fluorophenylthio)pyrimidin-4-yl)benzo[d]thiazol-2-yl)acetamide
CID 25182424
N-(6-(2-(4-Fluorophenylthio)pyrimidin-4-yl)benzo[d]thiazol-2-yl)acetamide
CID 25182427
N-(6-(2-(3-Methylphenylthio)pyrimidin-4-yl)benzo[d]thiazol-2-yl)acetamide
CID 25182710
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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-3-pyridinyl)-1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The IUPAC name of N-[3-(5-fluoro-3-pyridinyl)-1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide (CID 58265760) is N-[3-(5-fluoro-3-pyridinyl)-1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide.
What is the SMILES notation for N-[3-(5-fluoro-3-pyridinyl)-1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The canonical SMILES for N-[3-(5-fluoro-3-pyridinyl)-1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide is CC(=O)Nc1nc2c(s1)-c1c(c(-c3cncc(F)c3)nn1-c1ccccc1)CC2.
What is the InChIKey of N-[3-(5-fluoro-3-pyridinyl)-1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The InChIKey is REKYFWHBIYZLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5OS/c1-12(28)24-21-25-17-8-7-16-18(13-9-14(22)11-23-10-13)26-27(19(16)20(17)29-21)15-5-3-2-4-6-15/h2-6,9-11H,7-8H2,1H3,(H,24,25,28).
What are the key properties of N-[3-(5-fluoro-3-pyridinyl)-1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
N-[3-(5-fluoro-3-pyridinyl)-1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide has a molecular weight of 405.46 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoro-3-pyridinyl)-1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide is sourced from PubChem (CID 58265760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).