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

C19H16N4OS2 — CID 2241359

IUPACN-(3-methylphenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
SMILESCc1cccc(NC(=O)CSc2nnc3scc(-c4ccccc4)n23)c1
InChIInChI=1S/C19H16N4OS2/c1-13-6-5-9-15(10-13)20-17(24)12-26-19-22-21-18-23(19)16(11-25-18)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,20,24)
InChIKeyQCWHCEBZUQMZBZ-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.50
Rot. Bonds5

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

N-(3-methylphenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide (PubChem CID 2241359) has the molecular formula C19H16N4OS2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
PubChem CID2241359
Molecular FormulaC19H16N4OS2
Molecular Weight380.50 g/mol
Exact Mass380.08
IUPAC NameN-(3-methylphenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
SMILESCc1cccc(NC(=O)CSc2nnc3scc(-c4ccccc4)n23)c1
InChIInChI=1S/C19H16N4OS2/c1-13-6-5-9-15(10-13)20-17(24)12-26-19-22-21-18-23(19)16(11-25-18)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,20,24)
InChIKeyQCWHCEBZUQMZBZ-UHFFFAOYSA-N
XLogP4.50
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide (CID 2241359) is N-(3-methylphenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide is Cc1cccc(NC(=O)CSc2nnc3scc(-c4ccccc4)n23)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide?
The InChIKey is QCWHCEBZUQMZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS2/c1-13-6-5-9-15(10-13)20-17(24)12-26-19-22-21-18-23(19)16(11-25-18)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,20,24).
What are the key properties of N-(3-methylphenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide?
N-(3-methylphenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide has a molecular weight of 380.50 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2241359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).