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

C16H11Cl2N3OS2 — CID 4577083

IUPACN-(3-chlorophenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H11Cl2N3OS2/c17-10-4-3-5-11(8-10)19-14(22)9-23-16-20-15(21-24-16)12-6-1-2-7-13(12)18/h1-8H,9H2,(H,19,22)
InChIKeyGJCVZXYFVYMGGF-UHFFFAOYSA-N
MW396.32 g/mol
LogP5.24
Rot. Bonds5

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

N-(3-chlorophenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (PubChem CID 4577083) has the molecular formula C16H11Cl2N3OS2 and a molecular weight of 396.32 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
PubChem CID4577083
Molecular FormulaC16H11Cl2N3OS2
Molecular Weight396.32 g/mol
Exact Mass394.97
IUPAC NameN-(3-chlorophenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H11Cl2N3OS2/c17-10-4-3-5-11(8-10)19-14(22)9-23-16-20-15(21-24-16)12-6-1-2-7-13(12)18/h1-8H,9H2,(H,19,22)
InChIKeyGJCVZXYFVYMGGF-UHFFFAOYSA-N
XLogP5.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.32
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (CID 4577083) is N-(3-chlorophenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The InChIKey is GJCVZXYFVYMGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3OS2/c17-10-4-3-5-11(8-10)19-14(22)9-23-16-20-15(21-24-16)12-6-1-2-7-13(12)18/h1-8H,9H2,(H,19,22).
What are the key properties of N-(3-chlorophenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
N-(3-chlorophenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide has a molecular weight of 396.32 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 4577083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).