N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C22H28N6O3S2 — CID 55786671

IUPACN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2csc(-c3cnn(C)c3)n2)c1
InChIInChI=1S/C22H28N6O3S2/c1-4-28(5-2)33(30,31)17-8-9-20(27-10-6-7-11-27)18(12-17)24-21(29)19-15-32-22(25-19)16-13-23-26(3)14-16/h8-9,12-15H,4-7,10-11H2,1-3H3,(H,24,29)
InChIKeyXBUADOOMDWQREU-UHFFFAOYSA-N
MW488.64 g/mol
LogP3.43
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 55786671) has the molecular formula C22H28N6O3S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID55786671
Molecular FormulaC22H28N6O3S2
Molecular Weight488.64 g/mol
Exact Mass488.17
IUPAC NameN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2csc(-c3cnn(C)c3)n2)c1
InChIInChI=1S/C22H28N6O3S2/c1-4-28(5-2)33(30,31)17-8-9-20(27-10-6-7-11-27)18(12-17)24-21(29)19-15-32-22(25-19)16-13-23-26(3)14-16/h8-9,12-15H,4-7,10-11H2,1-3H3,(H,24,29)
InChIKeyXBUADOOMDWQREU-UHFFFAOYSA-N
XLogP3.43
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60529635
methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate
CID 26880898
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31820737
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3,5-dimethoxybenzamide
CID 4796940
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-benzofuran-2-carboxamide
CID 26880925
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-1-benzothiophene-2-carboxamide
CID 16561052
N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 4851065
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4795536
N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55933624
N-(2,5-diethoxyphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55790210

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 55786671) is N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2csc(-c3cnn(C)c3)n2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is XBUADOOMDWQREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3S2/c1-4-28(5-2)33(30,31)17-8-9-20(27-10-6-7-11-27)18(12-17)24-21(29)19-15-32-22(25-19)16-13-23-26(3)14-16/h8-9,12-15H,4-7,10-11H2,1-3H3,(H,24,29).
What are the key properties of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 488.64 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55786671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).