N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide

C20H19N5O3S2 — CID 27378391

IUPACN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n(-c2nc3ccccc3s2)n1
InChIInChI=1S/C20H19N5O3S2/c1-13-12-18(25(23-13)20-21-16-6-4-5-7-17(16)29-20)22-19(26)14-8-10-15(11-9-14)30(27,28)24(2)3/h4-12H,1-3H3,(H,22,26)
InChIKeyJUEWHXNDNOHQLO-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.29
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide

N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 27378391) has the molecular formula C20H19N5O3S2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide
PubChem CID27378391
Molecular FormulaC20H19N5O3S2
Molecular Weight441.54 g/mol
Exact Mass441.09
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n(-c2nc3ccccc3s2)n1
InChIInChI=1S/C20H19N5O3S2/c1-13-12-18(25(23-13)20-21-16-6-4-5-7-17(16)29-20)22-19(26)14-8-10-15(11-9-14)30(27,28)24(2)3/h4-12H,1-3H3,(H,22,26)
InChIKeyJUEWHXNDNOHQLO-UHFFFAOYSA-N
XLogP3.29
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-chlorobenzamide
CID 2381036
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-5-bromothiophene-2-carboxamide
CID 27378363
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide
CID 2333943
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 27378367
4-(dimethylamino)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 27378409
4-(dimethylsulfamoyl)-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 135731876
N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108755100
N-[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-5-yl]benzamide
CID 50882099
N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 2677030
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 55508140
4-(diethylsulfamoyl)-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 20932189
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5070509

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide (CID 27378391) is N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide is Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n(-c2nc3ccccc3s2)n1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is JUEWHXNDNOHQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S2/c1-13-12-18(25(23-13)20-21-16-6-4-5-7-17(16)29-20)22-19(26)14-8-10-15(11-9-14)30(27,28)24(2)3/h4-12H,1-3H3,(H,22,26).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide?
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 441.54 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 27378391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).