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

C18H13ClN4OS2 — CID 1085103

IUPACN-(4-chlorophenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN4OS2/c19-13-6-8-14(9-7-13)20-16(24)11-26-18-22-21-17-23(18)15(10-25-17)12-4-2-1-3-5-12/h1-10H,11H2,(H,20,24)
InChIKeyWKBQVKMGQWVLLD-UHFFFAOYSA-N
MW400.92 g/mol
LogP4.84
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide (PubChem CID 1085103) has the molecular formula C18H13ClN4OS2 and a molecular weight of 400.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
PubChem CID1085103
Molecular FormulaC18H13ClN4OS2
Molecular Weight400.92 g/mol
Exact Mass400.02
IUPAC NameN-(4-chlorophenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN4OS2/c19-13-6-8-14(9-7-13)20-16(24)11-26-18-22-21-17-23(18)15(10-25-17)12-4-2-1-3-5-12/h1-10H,11H2,(H,20,24)
InChIKeyWKBQVKMGQWVLLD-UHFFFAOYSA-N
XLogP4.84
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.92
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N1-(4-chlorophenyl)-2-{[4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-4H-1,2,4-triazol-3-yl]thio}acetamide
CID 2744152
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(5-phenyl-thiazolo[2,3-c][1,2,4]triazol-3-ylsulfanyl)-ethanone
CID 651249
N-(3-Cyano-4,5-dimethyl-thiophen-2-yl)-2-(5-phenyl-thiazolo[2,3-c][1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 653904
2-[[5-(4-methylphenyl)-3-thiazolo[2,3-c][1,2,4]triazolyl]thio]-N-(6-methyl-2-pyridinyl)acetamide
CID 655526
N-[4-(4-Chloro-phenyl)-thiazol-2-yl]-2-[1-(3,5-dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1449685
2-[(4-chlorophenyl)thio]-N-[2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 2215365
N-(3-methylphenyl)-2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)acetamide
CID 2241359
N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)thio]acetamide
CID 2200894
2-((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)-N-(p-tolyl)acetamide
CID 1179264
2-(4-chlorophenyl)sulfanyl-N-[4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 1254594
N-(4-(tert-butyl)phenyl)-2-((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)acetamide
CID 1281411
N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-[(5-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)thio]acetamide
CID 1589738

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide (CID 1085103) is N-(4-chlorophenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide is O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide?
The InChIKey is WKBQVKMGQWVLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4OS2/c19-13-6-8-14(9-7-13)20-16(24)11-26-18-22-21-17-23(18)15(10-25-17)12-4-2-1-3-5-12/h1-10H,11H2,(H,20,24).
What are the key properties of N-(4-chlorophenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide?
N-(4-chlorophenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide has a molecular weight of 400.92 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 1085103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).