N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide

C20H17FN4OS — CID 30461671

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide
SMILESO=C(Cc1ccccc1)N(CCn1cccn1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C20H17FN4OS/c21-16-7-8-17-18(14-16)27-20(23-17)25(12-11-24-10-4-9-22-24)19(26)13-15-5-2-1-3-6-15/h1-10,14H,11-13H2
InChIKeyFJEURNPQWISJKY-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.91
Rot. Bonds6

About N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide (PubChem CID 30461671) has the molecular formula C20H17FN4OS and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide
PubChem CID30461671
Molecular FormulaC20H17FN4OS
Molecular Weight380.45 g/mol
Exact Mass380.11
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide
SMILESO=C(Cc1ccccc1)N(CCn1cccn1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C20H17FN4OS/c21-16-7-8-17-18(14-16)27-20(23-17)25(12-11-24-10-4-9-22-24)19(26)13-15-5-2-1-3-6-15/h1-10,14H,11-13H2
InChIKeyFJEURNPQWISJKY-UHFFFAOYSA-N
XLogP3.91
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 30461770
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide
CID 30461663
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)furan-2-carboxamide
CID 30461427
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide;hydrochloride
CID 16808282
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 30461626
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)-N-(2-pyrazol-1-ylethyl)acetamide
CID 30461579
methyl 4-[(6-fluoro-1,3-benzothiazol-2-yl)-(2-pyrazol-1-ylethyl)carbamoyl]benzoate
CID 30461635
2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(2-pyrazol-1-ylethyl)pyrazole-3-carboxamide
CID 30461561
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-N-(2-pyrazol-1-ylethyl)benzamide
CID 30461595
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide
CID 30462260
N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-2-thiophen-2-ylacetamide
CID 30868332
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
CID 18583330

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide (CID 30461671) is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide is O=C(Cc1ccccc1)N(CCn1cccn1)c1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide?
The InChIKey is FJEURNPQWISJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS/c21-16-7-8-17-18(14-16)27-20(23-17)25(12-11-24-10-4-9-22-24)19(26)13-15-5-2-1-3-6-15/h1-10,14H,11-13H2.
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide has a molecular weight of 380.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide is sourced from PubChem (CID 30461671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).