N-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide

C20H18N4O2S2 — CID 1179299

IUPACN-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nnc3scc(-c4ccc(C)cc4)n23)cc1
InChIInChI=1S/C20H18N4O2S2/c1-13-3-5-14(6-4-13)17-11-27-19-22-23-20(24(17)19)28-12-18(25)21-15-7-9-16(26-2)10-8-15/h3-11H,12H2,1-2H3,(H,21,25)
InChIKeyZQEVJEXNGQPUNV-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.51
Rot. Bonds6

About N-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide

N-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide (PubChem CID 1179299) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
PubChem CID1179299
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC NameN-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nnc3scc(-c4ccc(C)cc4)n23)cc1
InChIInChI=1S/C20H18N4O2S2/c1-13-3-5-14(6-4-13)17-11-27-19-22-23-20(24(17)19)28-12-18(25)21-15-7-9-16(26-2)10-8-15/h3-11H,12H2,1-2H3,(H,21,25)
InChIKeyZQEVJEXNGQPUNV-UHFFFAOYSA-N
XLogP4.51
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide (CID 1179299) is N-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide is COc1ccc(NC(=O)CSc2nnc3scc(-c4ccc(C)cc4)n23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide?
The InChIKey is ZQEVJEXNGQPUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-13-3-5-14(6-4-13)17-11-27-19-22-23-20(24(17)19)28-12-18(25)21-15-7-9-16(26-2)10-8-15/h3-11H,12H2,1-2H3,(H,21,25).
What are the key properties of N-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide?
N-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide has a molecular weight of 410.52 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 1179299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).