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

C13H13Cl2N3OS — CID 26197202

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide
SMILESCCCCc1nnc(NC(=O)c2cccc(Cl)c2Cl)s1
InChIInChI=1S/C13H13Cl2N3OS/c1-2-3-7-10-17-18-13(20-10)16-12(19)8-5-4-6-9(14)11(8)15/h4-6H,2-3,7H2,1H3,(H,16,18,19)
InChIKeyRWGZARMOCOYUKV-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.44
Rot. Bonds5

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide (PubChem CID 26197202) has the molecular formula C13H13Cl2N3OS and a molecular weight of 330.24 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide
PubChem CID26197202
Molecular FormulaC13H13Cl2N3OS
Molecular Weight330.24 g/mol
Exact Mass329.02
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide
SMILESCCCCc1nnc(NC(=O)c2cccc(Cl)c2Cl)s1
InChIInChI=1S/C13H13Cl2N3OS/c1-2-3-7-10-17-18-13(20-10)16-12(19)8-5-4-6-9(14)11(8)15/h4-6H,2-3,7H2,1H3,(H,16,18,19)
InChIKeyRWGZARMOCOYUKV-UHFFFAOYSA-N
XLogP4.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-chlorobenzoyl)benzamide
CID 46541850
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 3099838
2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546737
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide
CID 134698300
N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide
CID 24667862
3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 134700188
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide
CID 31289611
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide
CID 31039084
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
CID 7747528
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide (CID 26197202) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide is CCCCc1nnc(NC(=O)c2cccc(Cl)c2Cl)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide?
The InChIKey is RWGZARMOCOYUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3OS/c1-2-3-7-10-17-18-13(20-10)16-12(19)8-5-4-6-9(14)11(8)15/h4-6H,2-3,7H2,1H3,(H,16,18,19).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide has a molecular weight of 330.24 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide is sourced from PubChem (CID 26197202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).