2,6-dichloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide

C15H8Cl3N3OS — CID 23458577

IUPAC2,6-dichloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H8Cl3N3OS/c16-9-6-4-8(5-7-9)14-20-21-15(23-14)19-13(22)12-10(17)2-1-3-11(12)18/h1-7H,(H,19,21,22)
InChIKeyCPRPLWKGHKHUOQ-UHFFFAOYSA-N
MW384.68 g/mol
LogP5.42
Rot. Bonds3

About 2,6-dichloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide

2,6-dichloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 23458577) has the molecular formula C15H8Cl3N3OS and a molecular weight of 384.68 g/mol. Its IUPAC name is 2,6-dichloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID23458577
Molecular FormulaC15H8Cl3N3OS
Molecular Weight384.68 g/mol
Exact Mass382.95
IUPAC Name2,6-dichloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H8Cl3N3OS/c16-9-6-4-8(5-7-9)14-20-21-15(23-14)19-13(22)12-10(17)2-1-3-11(12)18/h1-7H,(H,19,21,22)
InChIKeyCPRPLWKGHKHUOQ-UHFFFAOYSA-N
XLogP5.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.68
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 23458577) is 2,6-dichloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is CPRPLWKGHKHUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3N3OS/c16-9-6-4-8(5-7-9)14-20-21-15(23-14)19-13(22)12-10(17)2-1-3-11(12)18/h1-7H,(H,19,21,22).
What are the key properties of 2,6-dichloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
2,6-dichloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 384.68 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 23458577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).