2,4-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

C11H9Cl2N3OS2 — CID 739903

IUPAC2,4-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCSc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C11H9Cl2N3OS2/c1-2-18-11-16-15-10(19-11)14-9(17)7-4-3-6(12)5-8(7)13/h3-5H,2H2,1H3,(H,14,15,17)
InChIKeyPDZUAWIKNFAEES-UHFFFAOYSA-N
MW334.25 g/mol
LogP4.21
Rot. Bonds4

About 2,4-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

2,4-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 739903) has the molecular formula C11H9Cl2N3OS2 and a molecular weight of 334.25 g/mol. Its IUPAC name is 2,4-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID739903
Molecular FormulaC11H9Cl2N3OS2
Molecular Weight334.25 g/mol
Exact Mass332.96
IUPAC Name2,4-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCSc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C11H9Cl2N3OS2/c1-2-18-11-16-15-10(19-11)14-9(17)7-4-3-6(12)5-8(7)13/h3-5H,2H2,1H3,(H,14,15,17)
InChIKeyPDZUAWIKNFAEES-UHFFFAOYSA-N
XLogP4.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 803498
N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
CID 7095467
2,4-dichloro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1103113
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 871615
N-(5-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide
CID 3154020
2,4-Dichloro-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 649694
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 739607
2-chloro-N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
CID 2192320
2-chloro-N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
CID 2363161
4-chloro-N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
CID 3320545
N-(5-(4-bromobenzylthio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide
CID 3448811
N-(5-(3-fluorobenzylthio)-1,3,4-thiadiazol-2-yl)-4-chlorobenzamide
CID 4390766

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide (CID 739903) is 2,4-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide is CCSc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 2,4-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is PDZUAWIKNFAEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3OS2/c1-2-18-11-16-15-10(19-11)14-9(17)7-4-3-6(12)5-8(7)13/h3-5H,2H2,1H3,(H,14,15,17).
What are the key properties of 2,4-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
2,4-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 334.25 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 739903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).