N-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide

C19H16N4OS — CID 75510980

IUPACN-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc2sncc2c1
InChIInChI=1S/C19H16N4OS/c24-19(22-16-7-8-18-15(10-16)12-21-25-18)9-6-14-11-20-23(13-14)17-4-2-1-3-5-17/h1-5,7-8,10-13H,6,9H2,(H,22,24)
InChIKeyCTNCIZLQGUBHBD-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.05
Rot. Bonds5

About N-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide

N-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 75510980) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID75510980
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc2sncc2c1
InChIInChI=1S/C19H16N4OS/c24-19(22-16-7-8-18-15(10-16)12-21-25-18)9-6-14-11-20-23(13-14)17-4-2-1-3-5-17/h1-5,7-8,10-13H,6,9H2,(H,22,24)
InChIKeyCTNCIZLQGUBHBD-UHFFFAOYSA-N
XLogP4.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26465987
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 56508207
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 24646854
3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 38033181
3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 55610931
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 40722991
N-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466691
N-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466177
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
N-(1,2-benzothiazol-5-yl)-2-pyridin-4-ylacetamide
CID 99830867
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 49170952
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 26809580

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide (CID 75510980) is N-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide is O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc2sncc2c1.
What is the InChIKey of N-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is CTNCIZLQGUBHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c24-19(22-16-7-8-18-15(10-16)12-21-25-18)9-6-14-11-20-23(13-14)17-4-2-1-3-5-17/h1-5,7-8,10-13H,6,9H2,(H,22,24).
What are the key properties of N-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide?
N-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 348.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 75510980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).