2,4-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide

C19H18N4O2S2 — CID 108780603

IUPAC2,4-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
SMILESCc1ccc(-c2csc3nc(NS(=O)(=O)c4ccc(C)cc4C)nn23)cc1
InChIInChI=1S/C19H18N4O2S2/c1-12-4-7-15(8-5-12)16-11-26-19-20-18(21-23(16)19)22-27(24,25)17-9-6-13(2)10-14(17)3/h4-11H,1-3H3,(H,21,22)
InChIKeySVCABFJBOUOLHE-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.18
Rot. Bonds4

About 2,4-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide

2,4-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide (PubChem CID 108780603) has the molecular formula C19H18N4O2S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2,4-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
PubChem CID108780603
Molecular FormulaC19H18N4O2S2
Molecular Weight398.51 g/mol
Exact Mass398.09
IUPAC Name2,4-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
SMILESCc1ccc(-c2csc3nc(NS(=O)(=O)c4ccc(C)cc4C)nn23)cc1
InChIInChI=1S/C19H18N4O2S2/c1-12-4-7-15(8-5-12)16-11-26-19-20-18(21-23(16)19)22-27(24,25)17-9-6-13(2)10-14(17)3/h4-11H,1-3H3,(H,21,22)
InChIKeySVCABFJBOUOLHE-UHFFFAOYSA-N
XLogP4.18
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2,4-dimethylbenzenesulfonamide
CID 108780689
N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108780619
4-methoxy-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780595
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide
CID 108780564
N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 108780600
2,2-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108728011
5-chloro-2-methoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide
CID 108780573
4-(3,4-dimethylphenyl)-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxobutanamide
CID 108728065
2-methoxy-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108728076
3-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,1-diethylurea
CID 108728180
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butane-1-sulfonamide
CID 108780563
4-chloro-N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-nitrobenzenesulfonamide
CID 108780686

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide (CID 108780603) is 2,4-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide is Cc1ccc(-c2csc3nc(NS(=O)(=O)c4ccc(C)cc4C)nn23)cc1.
What is the InChIKey of 2,4-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide?
The InChIKey is SVCABFJBOUOLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S2/c1-12-4-7-15(8-5-12)16-11-26-19-20-18(21-23(16)19)22-27(24,25)17-9-6-13(2)10-14(17)3/h4-11H,1-3H3,(H,21,22).
What are the key properties of 2,4-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide?
2,4-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide has a molecular weight of 398.51 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 108780603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).