N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]quinoline-5-carboxamide

C21H18N4O3S2 — CID 52637908

IUPACN-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]quinoline-5-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)c3cccc4ncccc34)n2)cc1
InChIInChI=1S/C21H18N4O3S2/c1-25(2)30(27,28)15-10-8-14(9-11-15)19-13-29-21(23-19)24-20(26)17-5-3-7-18-16(17)6-4-12-22-18/h3-13H,1-2H3,(H,23,24,26)
InChIKeyBLKSMFZMOMJEEC-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.86
Rot. Bonds5

About N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]quinoline-5-carboxamide

N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]quinoline-5-carboxamide (PubChem CID 52637908) has the molecular formula C21H18N4O3S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]quinoline-5-carboxamide
PubChem CID52637908
Molecular FormulaC21H18N4O3S2
Molecular Weight438.53 g/mol
Exact Mass438.08
IUPAC NameN-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]quinoline-5-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)c3cccc4ncccc34)n2)cc1
InChIInChI=1S/C21H18N4O3S2/c1-25(2)30(27,28)15-10-8-14(9-11-15)19-13-29-21(23-19)24-20(26)17-5-3-7-18-16(17)6-4-12-22-18/h3-13H,1-2H3,(H,23,24,26)
InChIKeyBLKSMFZMOMJEEC-UHFFFAOYSA-N
XLogP3.86
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 70680665
2-chloro-5-(dimethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 24657619
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]quinoline-5-carboxamide
CID 24594548
2-(2-chlorophenyl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 55661964
2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 9246487
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5083822
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 112795524
2,2-dichloro-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 78868548
2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581346
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 17012865
2-chloro-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 134041379

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]quinoline-5-carboxamide?
The IUPAC name of N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]quinoline-5-carboxamide (CID 52637908) is N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]quinoline-5-carboxamide.
What is the SMILES notation for N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]quinoline-5-carboxamide?
The canonical SMILES for N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]quinoline-5-carboxamide is CN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)c3cccc4ncccc34)n2)cc1.
What is the InChIKey of N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]quinoline-5-carboxamide?
The InChIKey is BLKSMFZMOMJEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S2/c1-25(2)30(27,28)15-10-8-14(9-11-15)19-13-29-21(23-19)24-20(26)17-5-3-7-18-16(17)6-4-12-22-18/h3-13H,1-2H3,(H,23,24,26).
What are the key properties of N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]quinoline-5-carboxamide?
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]quinoline-5-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]quinoline-5-carboxamide is sourced from PubChem (CID 52637908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).