5-methyl-1-quinolin-2-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide

C23H18N6O3S2 — CID 108789024

IUPAC5-methyl-1-quinolin-2-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C23H18N6O3S2/c1-15-19(14-25-29(15)21-11-6-16-4-2-3-5-20(16)27-21)22(30)26-17-7-9-18(10-8-17)34(31,32)28-23-24-12-13-33-23/h2-14H,1H3,(H,24,28)(H,26,30)
InChIKeyRZTQZAGMWBXJAZ-UHFFFAOYSA-N
MW490.57 g/mol
LogP4.24
Rot. Bonds6

About 5-methyl-1-quinolin-2-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide

5-methyl-1-quinolin-2-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide (PubChem CID 108789024) has the molecular formula C23H18N6O3S2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 5-methyl-1-quinolin-2-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-quinolin-2-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
PubChem CID108789024
Molecular FormulaC23H18N6O3S2
Molecular Weight490.57 g/mol
Exact Mass490.09
IUPAC Name5-methyl-1-quinolin-2-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C23H18N6O3S2/c1-15-19(14-25-29(15)21-11-6-16-4-2-3-5-20(16)27-21)22(30)26-17-7-9-18(10-8-17)34(31,32)28-23-24-12-13-33-23/h2-14H,1H3,(H,24,28)(H,26,30)
InChIKeyRZTQZAGMWBXJAZ-UHFFFAOYSA-N
XLogP4.24
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(cyclohexylsulfamoyl)phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801855
N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801834
N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789021
5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108810824
2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2974593
[4-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]phenyl] thiocyanate
CID 108788981
N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788844
N-[4-(acetylsulfamoyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793466
1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 59205391
N-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801833
5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 43909921
2-(4-methylquinazolin-2-yl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 4551050

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-quinolin-2-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-quinolin-2-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide (CID 108789024) is 5-methyl-1-quinolin-2-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-quinolin-2-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-quinolin-2-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cnn1-c1ccc2ccccc2n1.
What is the InChIKey of 5-methyl-1-quinolin-2-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is RZTQZAGMWBXJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O3S2/c1-15-19(14-25-29(15)21-11-6-16-4-2-3-5-20(16)27-21)22(30)26-17-7-9-18(10-8-17)34(31,32)28-23-24-12-13-33-23/h2-14H,1H3,(H,24,28)(H,26,30).
What are the key properties of 5-methyl-1-quinolin-2-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide?
5-methyl-1-quinolin-2-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 490.57 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-quinolin-2-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 108789024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).