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

C22H21N3O2S2 — CID 16806801

IUPAC2,4,5-trimethyl-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1C
InChIInChI=1S/C22H21N3O2S2/c1-13-11-15(3)20(12-14(13)2)29(26,27)25-18-8-5-7-17(16(18)4)21-24-19-9-6-10-23-22(19)28-21/h5-12,25H,1-4H3
InChIKeyPXJGVUBYANYKMU-UHFFFAOYSA-N
MW423.56 g/mol
LogP5.39
Rot. Bonds4

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

2,4,5-trimethyl-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide (PubChem CID 16806801) has the molecular formula C22H21N3O2S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
PubChem CID16806801
Molecular FormulaC22H21N3O2S2
Molecular Weight423.56 g/mol
Exact Mass423.11
IUPAC Name2,4,5-trimethyl-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1C
InChIInChI=1S/C22H21N3O2S2/c1-13-11-15(3)20(12-14(13)2)29(26,27)25-18-8-5-7-17(16(18)4)21-24-19-9-6-10-23-22(19)28-21/h5-12,25H,1-4H3
InChIKeyPXJGVUBYANYKMU-UHFFFAOYSA-N
XLogP5.39
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-nitrobenzenesulfonamide
CID 40998598
2,4-dimethyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16806793
N-[3-[6-(2-aminopyrimidin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-methylphenyl]-2,5-difluorobenzenesulfonamide
CID 172875457
5-bromo-2-methoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 121025140
2-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-8-sulfonamide
CID 121025177
2,5-dimethoxy-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024913
4-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16806807
4-iodo-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 40998612
N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121025035
2-(3-methylphenoxy)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024920
N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 16815202
2-fluoro-4-methoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 40998555

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide (CID 16806801) is 2,4,5-trimethyl-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is PXJGVUBYANYKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S2/c1-13-11-15(3)20(12-14(13)2)29(26,27)25-18-8-5-7-17(16(18)4)21-24-19-9-6-10-23-22(19)28-21/h5-12,25H,1-4H3.
What are the key properties of 2,4,5-trimethyl-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
2,4,5-trimethyl-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 423.56 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 16806801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).