N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-pyrazol-1-ylpropanamide

C19H16N4OS — CID 134048421

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccccc1-c1nc2ccccc2s1)n1cccn1
InChIInChI=1S/C19H16N4OS/c1-13(23-12-6-11-20-23)18(24)21-15-8-3-2-7-14(15)19-22-16-9-4-5-10-17(16)25-19/h2-13H,1H3,(H,21,24)
InChIKeyAAXKSWIBFUJRKT-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.36
Rot. Bonds4

About N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-pyrazol-1-ylpropanamide

N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-pyrazol-1-ylpropanamide (PubChem CID 134048421) 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)phenyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-pyrazol-1-ylpropanamide
PubChem CID134048421
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccccc1-c1nc2ccccc2s1)n1cccn1
InChIInChI=1S/C19H16N4OS/c1-13(23-12-6-11-20-23)18(24)21-15-8-3-2-7-14(15)19-22-16-9-4-5-10-17(16)25-19/h2-13H,1H3,(H,21,24)
InChIKeyAAXKSWIBFUJRKT-UHFFFAOYSA-N
XLogP4.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-pyrazol-1-ylpropanamide (CID 134048421) is N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-pyrazol-1-ylpropanamide is CC(C(=O)Nc1ccccc1-c1nc2ccccc2s1)n1cccn1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is AAXKSWIBFUJRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-13(23-12-6-11-20-23)18(24)21-15-8-3-2-7-14(15)19-22-16-9-4-5-10-17(16)25-19/h2-13H,1H3,(H,21,24).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-pyrazol-1-ylpropanamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 348.43 g/mol, XLogP of 4.36, 4 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)phenyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 134048421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).