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

C16H11Cl2FN4OS — CID 509420

IUPAC2,6-dichloro-N-[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(NCc2ccc(F)cc2)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H11Cl2FN4OS/c17-11-2-1-3-12(18)13(11)14(24)21-16-23-22-15(25-16)20-8-9-4-6-10(19)7-5-9/h1-7H,8H2,(H,20,22)(H,21,23,24)
InChIKeyYYOVHUJAPYFOQU-UHFFFAOYSA-N
MW397.26 g/mol
LogP4.85
Rot. Bonds5

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

2,6-dichloro-N-[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 509420) has the molecular formula C16H11Cl2FN4OS and a molecular weight of 397.26 g/mol. Its IUPAC name is 2,6-dichloro-N-[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID509420
Molecular FormulaC16H11Cl2FN4OS
Molecular Weight397.26 g/mol
Exact Mass396.00
IUPAC Name2,6-dichloro-N-[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(NCc2ccc(F)cc2)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H11Cl2FN4OS/c17-11-2-1-3-12(18)13(11)14(24)21-16-23-22-15(25-16)20-8-9-4-6-10(19)7-5-9/h1-7H,8H2,(H,20,22)(H,21,23,24)
InChIKeyYYOVHUJAPYFOQU-UHFFFAOYSA-N
XLogP4.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1103113
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-(3-fluorobenzylthio)-1,3,4-thiadiazol-2-yl)-4-chlorobenzamide
CID 4390766
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
CID 5157299
N-(5-(3-chlorobenzylthio)-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 40833444
N-(5-(3-chlorobenzylthio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide
CID 44454722
2-chloro-N-[5-(2-fluorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 783368
2-chloro-6-fluoro-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3282564
N-{5-[Benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}-2-chlorobenzamide
CID 16017548
N-(5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-2-fluorobenzamide
CID 1326709

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide (CID 509420) is 2,6-dichloro-N-[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(NCc2ccc(F)cc2)s1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is YYOVHUJAPYFOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN4OS/c17-11-2-1-3-12(18)13(11)14(24)21-16-23-22-15(25-16)20-8-9-4-6-10(19)7-5-9/h1-7H,8H2,(H,20,22)(H,21,23,24).
What are the key properties of 2,6-dichloro-N-[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide?
2,6-dichloro-N-[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 397.26 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 509420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).