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

C20H16N4O2S2 — CID 647741

IUPACN-[4-[2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nnc3scc(-c4ccccc4)n23)cc1
InChIInChI=1S/C20H16N4O2S2/c1-13(25)21-16-9-7-15(8-10-16)18(26)12-28-20-23-22-19-24(20)17(11-27-19)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,21,25)
InChIKeyRHRXWYJQLCEUBV-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.39
Rot. Bonds6

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

N-[4-[2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide (PubChem CID 647741) has the molecular formula C20H16N4O2S2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[4-[2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide
PubChem CID647741
Molecular FormulaC20H16N4O2S2
Molecular Weight408.51 g/mol
Exact Mass408.07
IUPAC NameN-[4-[2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nnc3scc(-c4ccccc4)n23)cc1
InChIInChI=1S/C20H16N4O2S2/c1-13(25)21-16-9-7-15(8-10-16)18(26)12-28-20-23-22-19-24(20)17(11-27-19)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,21,25)
InChIKeyRHRXWYJQLCEUBV-UHFFFAOYSA-N
XLogP4.39
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 2230879
4-acetamido-N-[4-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-thiazolyl]benzamide
CID 2463285
N-(4-{2-[5-(3-Methoxy-phenyl)-thiazolo[2,3-c][1,2,4]triazol-3-ylsulfanyl]-acetyl}-phenyl)-acetamide
CID 651911
N-(3-methylphenyl)-2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)acetamide
CID 2241359
N-[5-[2-(4-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 137660445
1-(4-Fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)ethanone
CID 704876
2-((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)-N-(p-tolyl)acetamide
CID 1179264
N-(4-(tert-butyl)phenyl)-2-((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)acetamide
CID 1281411
N-[4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 11958571
N-(4-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}phenyl)acetamide
CID 15944385
N-(4-acetylphenyl)-2-(4-benzyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16015278
1-[5-[2-(3-Acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-phenylurea
CID 137632963

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide (CID 647741) is N-[4-[2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)CSc2nnc3scc(-c4ccccc4)n23)cc1.
What is the InChIKey of N-[4-[2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide?
The InChIKey is RHRXWYJQLCEUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S2/c1-13(25)21-16-9-7-15(8-10-16)18(26)12-28-20-23-22-19-24(20)17(11-27-19)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,21,25).
What are the key properties of N-[4-[2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide?
N-[4-[2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide has a molecular weight of 408.51 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide is sourced from PubChem (CID 647741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).