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)sulfanyl]acetamide

C20H13ClN6OS3 — CID 2200894

IUPACN-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1nsc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H13ClN6OS3/c21-14-8-6-13(7-9-14)17-23-18(26-31-17)22-16(28)11-30-20-25-24-19-27(20)15(10-29-19)12-4-2-1-3-5-12/h1-10H,11H2,(H,22,26,28)
InChIKeyYFVCQUXXRYKHQS-UHFFFAOYSA-N
MW485.02 g/mol
LogP5.36
Rot. Bonds6

About 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)sulfanyl]acetamide

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)sulfanyl]acetamide (PubChem CID 2200894) has the molecular formula C20H13ClN6OS3 and a molecular weight of 485.02 g/mol. Its IUPAC name is 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)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
PubChem CID2200894
Molecular FormulaC20H13ClN6OS3
Molecular Weight485.02 g/mol
Exact Mass484.00
IUPAC NameN-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1nsc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H13ClN6OS3/c21-14-8-6-13(7-9-14)17-23-18(26-31-17)22-16(28)11-30-20-25-24-19-27(20)15(10-29-19)12-4-2-1-3-5-12/h1-10H,11H2,(H,22,26,28)
InChIKeyYFVCQUXXRYKHQS-UHFFFAOYSA-N
XLogP5.36
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.02
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-[(5-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)thio]propanamide
CID 3245845
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2409358
N-[4-(4-Chloro-phenyl)-thiazol-2-yl]-2-[1-(3,5-dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1449685
2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]thio}-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide
CID 2212701
N-[5-(4-Methylphenyl)-1,2,4-thiadiazol-3-YL]-2-({5-phenyl-[1,2,4]triazolo[3,4-B][1,3]thiazol-3-YL}sulfanyl)acetamide
CID 4256680
5-(4-Chlorophenyl)-3-(2-methylpropylsulfanyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 155564852
5-(4-Chlorophenyl)-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]thio}[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 2938698
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-(5-p-tolyl-thiazolo[2,3-c][1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 653282
N-(4-chlorophenyl)-2-((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)acetamide
CID 1085103
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
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2224938
2-[[5-(4-Methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
CID 3154265

Frequently Asked Questions

What is the IUPAC name of 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)sulfanyl]acetamide?
The IUPAC name of 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)sulfanyl]acetamide (CID 2200894) is 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)sulfanyl]acetamide.
What is the SMILES notation for 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)sulfanyl]acetamide?
The canonical SMILES for 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)sulfanyl]acetamide is O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1nsc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 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)sulfanyl]acetamide?
The InChIKey is YFVCQUXXRYKHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN6OS3/c21-14-8-6-13(7-9-14)17-23-18(26-31-17)22-16(28)11-30-20-25-24-19-27(20)15(10-29-19)12-4-2-1-3-5-12/h1-10H,11H2,(H,22,26,28).
What are the key properties of 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)sulfanyl]acetamide?
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)sulfanyl]acetamide has a molecular weight of 485.02 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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)sulfanyl]acetamide is sourced from PubChem (CID 2200894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).