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

C10H4Cl2F3N3OS — CID 1077816

IUPAC2,6-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H4Cl2F3N3OS/c11-4-2-1-3-5(12)6(4)7(19)16-9-18-17-8(20-9)10(13,14)15/h1-3H,(H,16,18,19)
InChIKeyUARLICAAVXOKAQ-UHFFFAOYSA-N
MW342.13 g/mol
LogP4.12
Rot. Bonds2

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

2,6-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 1077816) has the molecular formula C10H4Cl2F3N3OS and a molecular weight of 342.13 g/mol. Its IUPAC name is 2,6-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID1077816
Molecular FormulaC10H4Cl2F3N3OS
Molecular Weight342.13 g/mol
Exact Mass340.94
IUPAC Name2,6-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H4Cl2F3N3OS/c11-4-2-1-3-5(12)6(4)7(19)16-9-18-17-8(20-9)10(13,14)15/h1-3H,(H,16,18,19)
InChIKeyUARLICAAVXOKAQ-UHFFFAOYSA-N
XLogP4.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.13
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1103113
N-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 569481
2,6-difluoro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 330490
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
2,6-difluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4128371
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide
CID 134137371
2-chloro-N-[5-(2-fluorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 783368
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
CID 4380426
3-chloro-4-fluoro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 2798018
2,6-dichloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 23458577
2,4-Dichloro-N-[5-(2-piperidin-1-yl-ethyl)-[1,3,4]thiadiazol-2-yl]-benzamide
CID 1409656

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 1077816) is 2,6-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(C(F)(F)F)s1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is UARLICAAVXOKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2F3N3OS/c11-4-2-1-3-5(12)6(4)7(19)16-9-18-17-8(20-9)10(13,14)15/h1-3H,(H,16,18,19).
What are the key properties of 2,6-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
2,6-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 342.13 g/mol, XLogP of 4.12, 2 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-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 1077816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).