N-[4-methyl-5-[4-methyl-3-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid

C24H25F3N4O5S2 — CID 159263287

IUPACN-[4-methyl-5-[4-methyl-3-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(-c2sc(NC(=O)C3CCCC3)nc2C)cc1S(=O)(=O)Nc1ccccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H24N4O3S2.C2HF3O2/c1-14-10-11-17(13-18(14)31(28,29)26-19-9-5-6-12-23-19)20-15(2)24-22(30-20)25-21(27)16-7-3-4-8-16;3-2(4,5)1(6)7/h5-6,9-13,16H,3-4,7-8H2,1-2H3,(H,23,26)(H,24,25,27);(H,6,7)
InChIKeyBVRPMLOKSBVXNB-UHFFFAOYSA-N
MW570.62 g/mol
LogP5.38
Rot. Bonds6

About N-[4-methyl-5-[4-methyl-3-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid

N-[4-methyl-5-[4-methyl-3-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 159263287) has the molecular formula C24H25F3N4O5S2 and a molecular weight of 570.62 g/mol. Its IUPAC name is N-[4-methyl-5-[4-methyl-3-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[4-methyl-5-[4-methyl-3-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid
PubChem CID159263287
Molecular FormulaC24H25F3N4O5S2
Molecular Weight570.62 g/mol
Exact Mass570.12
IUPAC NameN-[4-methyl-5-[4-methyl-3-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(-c2sc(NC(=O)C3CCCC3)nc2C)cc1S(=O)(=O)Nc1ccccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H24N4O3S2.C2HF3O2/c1-14-10-11-17(13-18(14)31(28,29)26-19-9-5-6-12-23-19)20-15(2)24-22(30-20)25-21(27)16-7-3-4-8-16;3-2(4,5)1(6)7/h5-6,9-13,16H,3-4,7-8H2,1-2H3,(H,23,26)(H,24,25,27);(H,6,7)
InChIKeyBVRPMLOKSBVXNB-UHFFFAOYSA-N
XLogP5.38
TPSA138.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.62
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-methyl-5-[4-methyl-3-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-(Aminosulfonyl)-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-(4-(2-pyridinyl)phenyl)acetamide
CID 491941
N-(4-ethyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide
CID 123372490
5Ljk37NK4E
CID 21051363
N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;hydrochloride
CID 70037678
N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide;sulfuric acid
CID 137648125
Pritelivir mesylate
CID 11950374
N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 71682209
N-methyl-2-[4-(1-methylpyridin-1-ium-2-yl)phenyl]-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide acetate
CID 137659570
N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 16259539
Pritelivir mesylate hydrate
CID 71515453
CID 134805052
CID 134805052
N-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43071657

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[4-methyl-3-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[4-methyl-5-[4-methyl-3-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid (CID 159263287) is N-[4-methyl-5-[4-methyl-3-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[4-methyl-5-[4-methyl-3-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[4-methyl-5-[4-methyl-3-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid is Cc1ccc(-c2sc(NC(=O)C3CCCC3)nc2C)cc1S(=O)(=O)Nc1ccccn1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[4-methyl-5-[4-methyl-3-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is BVRPMLOKSBVXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S2.C2HF3O2/c1-14-10-11-17(13-18(14)31(28,29)26-19-9-5-6-12-23-19)20-15(2)24-22(30-20)25-21(27)16-7-3-4-8-16;3-2(4,5)1(6)7/h5-6,9-13,16H,3-4,7-8H2,1-2H3,(H,23,26)(H,24,25,27);(H,6,7).
What are the key properties of N-[4-methyl-5-[4-methyl-3-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid?
N-[4-methyl-5-[4-methyl-3-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 570.62 g/mol, XLogP of 5.38, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[4-methyl-3-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 159263287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).