N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-pyrazol-1-ylbenzamide

C19H16N4OS — CID 86991844

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-pyrazol-1-ylbenzamide
SMILESO=C(NCCc1nc2ccccc2s1)c1ccccc1-n1cccn1
InChIInChI=1S/C19H16N4OS/c24-19(14-6-1-3-8-16(14)23-13-5-11-21-23)20-12-10-18-22-15-7-2-4-9-17(15)25-18/h1-9,11,13H,10,12H2,(H,20,24)
InChIKeyXKLPVAZVIWDQBH-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.45
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-pyrazol-1-ylbenzamide

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-pyrazol-1-ylbenzamide (PubChem CID 86991844) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-pyrazol-1-ylbenzamide
PubChem CID86991844
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-pyrazol-1-ylbenzamide
SMILESO=C(NCCc1nc2ccccc2s1)c1ccccc1-n1cccn1
InChIInChI=1S/C19H16N4OS/c24-19(14-6-1-3-8-16(14)23-13-5-11-21-23)20-12-10-18-22-15-7-2-4-9-17(15)25-18/h1-9,11,13H,10,12H2,(H,20,24)
InChIKeyXKLPVAZVIWDQBH-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(difluoromethoxy)benzamide
CID 46823890
5-acetyl-N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 39996788
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 46823899
1-[2-(1,3-benzothiazol-2-yl)ethyl]pyrrole-2-carbohydrazide
CID 24711863
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-tert-butylbenzamide
CID 46823819
N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 91408055
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methylbenzamide
CID 51207900
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-pyrazol-1-ylbenzamide
CID 86828734
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-chloro-5-methylsulfonylbenzamide
CID 78810749
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 114996265
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide
CID 119272632
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 18198533

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-pyrazol-1-ylbenzamide (CID 86991844) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-pyrazol-1-ylbenzamide is O=C(NCCc1nc2ccccc2s1)c1ccccc1-n1cccn1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-pyrazol-1-ylbenzamide?
The InChIKey is XKLPVAZVIWDQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c24-19(14-6-1-3-8-16(14)23-13-5-11-21-23)20-12-10-18-22-15-7-2-4-9-17(15)25-18/h1-9,11,13H,10,12H2,(H,20,24).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-pyrazol-1-ylbenzamide?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-pyrazol-1-ylbenzamide has a molecular weight of 348.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-pyrazol-1-ylbenzamide is sourced from PubChem (CID 86991844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).