2-(4-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]ethenesulfonamide

C19H18N4O2S3 — CID 71960556

IUPAC2-(4-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]ethenesulfonamide
SMILESCc1ccc(C=CS(=O)(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1
InChIInChI=1S/C19H18N4O2S3/c1-14-4-6-15(7-5-14)9-12-28(24,25)20-10-8-16-13-27-19-21-18(22-23(16)19)17-3-2-11-26-17/h2-7,9,11-13,20H,8,10H2,1H3
InChIKeyHBPNESFEPSNNBT-UHFFFAOYSA-N
MW430.58 g/mol
LogP3.96
Rot. Bonds7

About 2-(4-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]ethenesulfonamide

2-(4-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]ethenesulfonamide (PubChem CID 71960556) has the molecular formula C19H18N4O2S3 and a molecular weight of 430.58 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]ethenesulfonamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]ethenesulfonamide
PubChem CID71960556
Molecular FormulaC19H18N4O2S3
Molecular Weight430.58 g/mol
Exact Mass430.06
IUPAC Name2-(4-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]ethenesulfonamide
SMILESCc1ccc(C=CS(=O)(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1
InChIInChI=1S/C19H18N4O2S3/c1-14-4-6-15(7-5-14)9-12-28(24,25)20-10-8-16-13-27-19-21-18(22-23(16)19)17-3-2-11-26-17/h2-7,9,11-13,20H,8,10H2,1H3
InChIKeyHBPNESFEPSNNBT-UHFFFAOYSA-N
XLogP3.96
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-4,5-dimethyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide
CID 20965790
N'-(2-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide
CID 44826640
4-bromo-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
CID 27555449
N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]thiophene-2-sulfonamide
CID 20965812
2-(4-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
CID 7530892
(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine
CID 82476476
N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]ethanesulfonamide
CID 27656245
2-naphthalen-1-yl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
CID 44976671
3-fluoro-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
CID 7530838
2-(2-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
CID 7530890
N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 20911912
N'-(3,4-dimethoxyphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide
CID 27444679

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]ethenesulfonamide?
The IUPAC name of 2-(4-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]ethenesulfonamide (CID 71960556) is 2-(4-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]ethenesulfonamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]ethenesulfonamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]ethenesulfonamide is Cc1ccc(C=CS(=O)(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]ethenesulfonamide?
The InChIKey is HBPNESFEPSNNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S3/c1-14-4-6-15(7-5-14)9-12-28(24,25)20-10-8-16-13-27-19-21-18(22-23(16)19)17-3-2-11-26-17/h2-7,9,11-13,20H,8,10H2,1H3.
What are the key properties of 2-(4-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]ethenesulfonamide?
2-(4-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]ethenesulfonamide has a molecular weight of 430.58 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]ethenesulfonamide is sourced from PubChem (CID 71960556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).