N'-(3,4-dimethoxyphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide

C20H19N5O4S2 — CID 27444679

IUPACN'-(3,4-dimethoxyphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1OC
InChIInChI=1S/C20H19N5O4S2/c1-28-14-6-5-12(10-15(14)29-2)22-19(27)18(26)21-8-7-13-11-31-20-23-17(24-25(13)20)16-4-3-9-30-16/h3-6,9-11H,7-8H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyDMDSCRFCPQRAON-UHFFFAOYSA-N
MW457.54 g/mol
LogP2.83
Rot. Bonds7

About N'-(3,4-dimethoxyphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide

N'-(3,4-dimethoxyphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide (PubChem CID 27444679) has the molecular formula C20H19N5O4S2 and a molecular weight of 457.54 g/mol. Its IUPAC name is N'-(3,4-dimethoxyphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-dimethoxyphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide
PubChem CID27444679
Molecular FormulaC20H19N5O4S2
Molecular Weight457.54 g/mol
Exact Mass457.09
IUPAC NameN'-(3,4-dimethoxyphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1OC
InChIInChI=1S/C20H19N5O4S2/c1-28-14-6-5-12(10-15(14)29-2)22-19(27)18(26)21-8-7-13-11-31-20-23-17(24-25(13)20)16-4-3-9-30-16/h3-6,9-11H,7-8H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyDMDSCRFCPQRAON-UHFFFAOYSA-N
XLogP2.83
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chloro-4-fluorophenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide
CID 44826644
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-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide
CID 44826640
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-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'-(3-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 18564712
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-methoxy-5-methylphenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 20965903
3-fluoro-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
CID 7530838
N'-(4-ethylphenyl)-N-[2-[2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 18564808
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
N'-(3-acetamidophenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 44826646

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethoxyphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide?
The IUPAC name of 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) is N'-(3,4-dimethoxyphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide.
What is the SMILES notation for N'-(3,4-dimethoxyphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide?
The canonical SMILES for N'-(3,4-dimethoxyphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide is COc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1OC.
What is the InChIKey of N'-(3,4-dimethoxyphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide?
The InChIKey is DMDSCRFCPQRAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4S2/c1-28-14-6-5-12(10-15(14)29-2)22-19(27)18(26)21-8-7-13-11-31-20-23-17(24-25(13)20)16-4-3-9-30-16/h3-6,9-11H,7-8H2,1-2H3,(H,21,26)(H,22,27).
What are the key properties of N'-(3,4-dimethoxyphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide?
N'-(3,4-dimethoxyphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide has a molecular weight of 457.54 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethoxyphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide is sourced from PubChem (CID 27444679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).