N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide

C16H11Cl2N3OS — CID 30581878

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H11Cl2N3OS/c17-12-7-11(8-13(18)9-12)15(22)19-16-21-20-14(23-16)6-10-4-2-1-3-5-10/h1-5,7-9H,6H2,(H,19,21,22)
InChIKeyYTZNVSSMJRZWGR-UHFFFAOYSA-N
MW364.26 g/mol
LogP4.69
Rot. Bonds4

About N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide (PubChem CID 30581878) has the molecular formula C16H11Cl2N3OS and a molecular weight of 364.26 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide
PubChem CID30581878
Molecular FormulaC16H11Cl2N3OS
Molecular Weight364.26 g/mol
Exact Mass363.00
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H11Cl2N3OS/c17-12-7-11(8-13(18)9-12)15(22)19-16-21-20-14(23-16)6-10-4-2-1-3-5-10/h1-5,7-9H,6H2,(H,19,21,22)
InChIKeyYTZNVSSMJRZWGR-UHFFFAOYSA-N
XLogP4.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-iodobenzamide
CID 38903577
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide
CID 1303655
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 741030
3-benzamido-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1302353
[4-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]carbamic acid
CID 68739824
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-5-bromopyridine-3-carboxamide
CID 18075084
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide
CID 18075087
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)benzamide
CID 18189580
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4800720
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide
CID 30581833
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide
CID 860501

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide (CID 30581878) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide is O=C(Nc1nnc(Cc2ccccc2)s1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide?
The InChIKey is YTZNVSSMJRZWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3OS/c17-12-7-11(8-13(18)9-12)15(22)19-16-21-20-14(23-16)6-10-4-2-1-3-5-10/h1-5,7-9H,6H2,(H,19,21,22).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide has a molecular weight of 364.26 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide is sourced from PubChem (CID 30581878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).