5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide

C23H18N6O3S2 — CID 138692451

IUPAC5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3cccc(S(N)(=O)=O)c3)cc2-c2ccc3ncsc3c2)n1
InChIInChI=1S/C23H18N6O3S2/c1-14-4-2-7-22(26-14)29-20(15-8-9-18-21(10-15)33-13-25-18)12-19(28-29)23(30)27-16-5-3-6-17(11-16)34(24,31)32/h2-13H,1H3,(H,27,30)(H2,24,31,32)
InChIKeyWOPBIKXNWNBJGR-UHFFFAOYSA-N
MW490.57 g/mol
LogP3.75
Rot. Bonds5

About 5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide

5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide (PubChem CID 138692451) has the molecular formula C23H18N6O3S2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide
PubChem CID138692451
Molecular FormulaC23H18N6O3S2
Molecular Weight490.57 g/mol
Exact Mass490.09
IUPAC Name5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3cccc(S(N)(=O)=O)c3)cc2-c2ccc3ncsc3c2)n1
InChIInChI=1S/C23H18N6O3S2/c1-14-4-2-7-22(26-14)29-20(15-8-9-18-21(10-15)33-13-25-18)12-19(28-29)23(30)27-16-5-3-6-17(11-16)34(24,31)32/h2-13H,1H3,(H,27,30)(H2,24,31,32)
InChIKeyWOPBIKXNWNBJGR-UHFFFAOYSA-N
XLogP3.75
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyrazole-3-carboxamide
CID 138748017
5-(1,3-benzothiazol-6-yl)-N-(2-methoxy-4-pyridinyl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 138747879
5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(4-methylsulfinylphenyl)pyrazole-3-carboxamide
CID 138747832
5-(1,3-benzothiazol-6-yl)-N-(4-ethoxyphenyl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 138748014
2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-(4-sulfamoylphenyl)acetamide
CID 138594887
5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide
CID 138747859
5-(1,3-benzothiazol-6-yl)-N-[4-(cyclopropylmethoxy)phenyl]-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 138692441
5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-[4-(methylsulfonimidoyl)phenyl]pyrazole-3-carboxamide;5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid;ethyl N-[[4-[[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carbonyl]amino]phenyl]-methyl-oxo-λ6-sulfanylidene]carbamate
CID 158110864
2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-[3-(sulfamoylmethyl)phenyl]acetamide
CID 138595045
5-(1,3-benzothiazol-6-yl)-N-[4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide;sulfane
CID 158067423
N-(3-acetylphenyl)-2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide
CID 138594864
[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl] N-methylcarbamate
CID 169074355

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide (CID 138692451) is 5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide is Cc1cccc(-n2nc(C(=O)Nc3cccc(S(N)(=O)=O)c3)cc2-c2ccc3ncsc3c2)n1.
What is the InChIKey of 5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide?
The InChIKey is WOPBIKXNWNBJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O3S2/c1-14-4-2-7-22(26-14)29-20(15-8-9-18-21(10-15)33-13-25-18)12-19(28-29)23(30)27-16-5-3-6-17(11-16)34(24,31)32/h2-13H,1H3,(H,27,30)(H2,24,31,32).
What are the key properties of 5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide?
5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide has a molecular weight of 490.57 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 138692451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).