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

C21H19FN4OS — CID 30461663

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide
SMILESO=C(CCc1ccccc1)N(CCn1cccn1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C21H19FN4OS/c22-17-8-9-18-19(15-17)28-21(24-18)26(14-13-25-12-4-11-23-25)20(27)10-7-16-5-2-1-3-6-16/h1-6,8-9,11-12,15H,7,10,13-14H2
InChIKeyXBPZQNXCAKBZJD-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.30
Rot. Bonds7

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

N-(6-fluoro-1,3-benzothiazol-2-yl)-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide (PubChem CID 30461663) has the molecular formula C21H19FN4OS and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide
PubChem CID30461663
Molecular FormulaC21H19FN4OS
Molecular Weight394.48 g/mol
Exact Mass394.13
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide
SMILESO=C(CCc1ccccc1)N(CCn1cccn1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C21H19FN4OS/c22-17-8-9-18-19(15-17)28-21(24-18)26(14-13-25-12-4-11-23-25)20(27)10-7-16-5-2-1-3-6-16/h1-6,8-9,11-12,15H,7,10,13-14H2
InChIKeyXBPZQNXCAKBZJD-UHFFFAOYSA-N
XLogP4.30
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide
CID 30461671
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 30461770
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-phenylpropanamide;hydrochloride
CID 16808279
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 7622738
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)furan-2-carboxamide
CID 30461427
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide;hydrochloride
CID 44933519
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)-N-(2-pyrazol-1-ylethyl)acetamide
CID 30461579
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 30461626
methyl 4-[(6-fluoro-1,3-benzothiazol-2-yl)-(2-pyrazol-1-ylethyl)carbamoyl]benzoate
CID 30461635
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-N-(2-pyrazol-1-ylethyl)benzamide
CID 30461595
2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(2-pyrazol-1-ylethyl)pyrazole-3-carboxamide
CID 30461561
N-[2-(dimethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide;hydrochloride
CID 18563776

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide (CID 30461663) is N-(6-fluoro-1,3-benzothiazol-2-yl)-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide is O=C(CCc1ccccc1)N(CCn1cccn1)c1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide?
The InChIKey is XBPZQNXCAKBZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4OS/c22-17-8-9-18-19(15-17)28-21(24-18)26(14-13-25-12-4-11-23-25)20(27)10-7-16-5-2-1-3-6-16/h1-6,8-9,11-12,15H,7,10,13-14H2.
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide has a molecular weight of 394.48 g/mol, XLogP of 4.30, 7 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)-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide is sourced from PubChem (CID 30461663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).