N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide

C20H14F3N3O2S2 — CID 40998603

IUPACN-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H14F3N3O2S2/c1-12-7-8-13(18-25-16-6-3-9-24-19(16)29-18)10-17(12)26-30(27,28)15-5-2-4-14(11-15)20(21,22)23/h2-11,26H,1H3
InChIKeyZNTHWWLBNAANDM-UHFFFAOYSA-N
MW449.48 g/mol
LogP5.49
Rot. Bonds4

About N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide

N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 40998603) has the molecular formula C20H14F3N3O2S2 and a molecular weight of 449.48 g/mol. Its IUPAC name is N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID40998603
Molecular FormulaC20H14F3N3O2S2
Molecular Weight449.48 g/mol
Exact Mass449.05
IUPAC NameN-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H14F3N3O2S2/c1-12-7-8-13(18-25-16-6-3-9-24-19(16)29-18)10-17(12)26-30(27,28)15-5-2-4-14(11-15)20(21,22)23/h2-11,26H,1H3
InChIKeyZNTHWWLBNAANDM-UHFFFAOYSA-N
XLogP5.49
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.48
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide 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

4-iodo-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 40998612
3-methoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 121025164
N-[4-methyl-5-[[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 30285526
4-acetyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16800845
4-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3,5-dinitrobenzenesulfonamide
CID 40998580
4-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16825197
2-fluoro-4-methoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 40998555
2,3-dimethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 3292217
5-bromo-2-methoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 121025140
3,5-dichloro-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024743
3-cyclohexyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 3531765
2,4-dimethyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16806793

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 40998603) is N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZNTHWWLBNAANDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O2S2/c1-12-7-8-13(18-25-16-6-3-9-24-19(16)29-18)10-17(12)26-30(27,28)15-5-2-4-14(11-15)20(21,22)23/h2-11,26H,1H3.
What are the key properties of N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 449.48 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 40998603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).