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

C21H15N5O3S2 — CID 59680243

IUPAC3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESCc1nnc(-c2cccc(S(=O)(=O)Nc3cccc(-c4nc5ccncc5s4)c3)c2)o1
InChIInChI=1S/C21H15N5O3S2/c1-13-24-25-20(29-13)14-4-3-7-17(11-14)31(27,28)26-16-6-2-5-15(10-16)21-23-18-8-9-22-12-19(18)30-21/h2-12,26H,1H3
InChIKeyTYATVBUKCWJIQH-UHFFFAOYSA-N
MW449.52 g/mol
LogP4.52
Rot. Bonds5

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

3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]benzenesulfonamide (PubChem CID 59680243) has the molecular formula C21H15N5O3S2 and a molecular weight of 449.52 g/mol. Its IUPAC name is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]benzenesulfonamide
PubChem CID59680243
Molecular FormulaC21H15N5O3S2
Molecular Weight449.52 g/mol
Exact Mass449.06
IUPAC Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESCc1nnc(-c2cccc(S(=O)(=O)Nc3cccc(-c4nc5ccncc5s4)c3)c2)o1
InChIInChI=1S/C21H15N5O3S2/c1-13-24-25-20(29-13)14-4-3-7-17(11-14)31(27,28)26-16-6-2-5-15(10-16)21-23-18-8-9-22-12-19(18)30-21/h2-12,26H,1H3
InChIKeyTYATVBUKCWJIQH-UHFFFAOYSA-N
XLogP4.52
TPSA110.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]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

N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725699
5-(benzenesulfonyl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-sulfonamide
CID 59679841
2,2-dimethyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4-dihydrochromene-6-sulfonamide
CID 59679914
4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
CID 169372698
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chlorobenzenesulfonamide
CID 1255601
2-(3-methylphenoxy)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]acetamide
CID 143409048
3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]benzoic acid
CID 171985684
5-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-carboxamide
CID 59680303
1-acetyl-N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55434379
2,2-dimethyl-N-[4-[[3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060677
4-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16825197
3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 46392639

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]benzenesulfonamide (CID 59680243) is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]benzenesulfonamide is Cc1nnc(-c2cccc(S(=O)(=O)Nc3cccc(-c4nc5ccncc5s4)c3)c2)o1.
What is the InChIKey of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is TYATVBUKCWJIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O3S2/c1-13-24-25-20(29-13)14-4-3-7-17(11-14)31(27,28)26-16-6-2-5-15(10-16)21-23-18-8-9-22-12-19(18)30-21/h2-12,26H,1H3.
What are the key properties of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]benzenesulfonamide?
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 449.52 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 59680243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).