2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide

C17H14ClN3O2S2 — CID 4521598

IUPAC2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)c1
InChIInChI=1S/C17H14ClN3O2S2/c1-23-12-6-4-5-11(9-12)19-15(22)10-24-17-20-16(21-25-17)13-7-2-3-8-14(13)18/h2-9H,10H2,1H3,(H,19,22)
InChIKeyJZAPPMUGJZCXMI-UHFFFAOYSA-N
MW391.91 g/mol
LogP4.60
Rot. Bonds6

About 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide

2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide (PubChem CID 4521598) has the molecular formula C17H14ClN3O2S2 and a molecular weight of 391.91 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
PubChem CID4521598
Molecular FormulaC17H14ClN3O2S2
Molecular Weight391.91 g/mol
Exact Mass391.02
IUPAC Name2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)c1
InChIInChI=1S/C17H14ClN3O2S2/c1-23-12-6-4-5-11(9-12)19-15(22)10-24-17-20-16(21-25-17)13-7-2-3-8-14(13)18/h2-9H,10H2,1H3,(H,19,22)
InChIKeyJZAPPMUGJZCXMI-UHFFFAOYSA-N
XLogP4.60
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.91
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide (CID 4521598) is 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)c1.
What is the InChIKey of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is JZAPPMUGJZCXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S2/c1-23-12-6-4-5-11(9-12)19-15(22)10-24-17-20-16(21-25-17)13-7-2-3-8-14(13)18/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide?
2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 391.91 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 4521598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).