N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide

C24H19N5OS — CID 55604825

IUPACN-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1ccccc1N(C(=O)c1cnn(-c2ccccn2)c1C)c1nc2ccccc2s1
InChIInChI=1S/C24H19N5OS/c1-16-9-3-5-11-20(16)28(24-27-19-10-4-6-12-21(19)31-24)23(30)18-15-26-29(17(18)2)22-13-7-8-14-25-22/h3-15H,1-2H3
InChIKeyUMENDTKKGTVQNC-UHFFFAOYSA-N
MW425.52 g/mol
LogP5.47
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide

N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 55604825) has the molecular formula C24H19N5OS and a molecular weight of 425.52 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID55604825
Molecular FormulaC24H19N5OS
Molecular Weight425.52 g/mol
Exact Mass425.13
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1ccccc1N(C(=O)c1cnn(-c2ccccn2)c1C)c1nc2ccccc2s1
InChIInChI=1S/C24H19N5OS/c1-16-9-3-5-11-20(16)28(24-27-19-10-4-6-12-21(19)31-24)23(30)18-15-26-29(17(18)2)22-13-7-8-14-25-22/h3-15H,1-2H3
InChIKeyUMENDTKKGTVQNC-UHFFFAOYSA-N
XLogP5.47
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.52
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide (CID 55604825) is N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide is Cc1ccccc1N(C(=O)c1cnn(-c2ccccn2)c1C)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is UMENDTKKGTVQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5OS/c1-16-9-3-5-11-20(16)28(24-27-19-10-4-6-12-21(19)31-24)23(30)18-15-26-29(17(18)2)22-13-7-8-14-25-22/h3-15H,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 425.52 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55604825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).