5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide

C11H8ClF2N3OS — CID 80625249

IUPAC5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(NC(=O)c1nnc(Cl)s1)c1c(F)cccc1F
InChIInChI=1S/C11H8ClF2N3OS/c1-5(8-6(13)3-2-4-7(8)14)15-9(18)10-16-17-11(12)19-10/h2-5H,1H3,(H,15,18)
InChIKeyFNFORIKFRYOXHC-UHFFFAOYSA-N
MW303.72 g/mol
LogP2.96
Rot. Bonds3

About 5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625249) has the molecular formula C11H8ClF2N3OS and a molecular weight of 303.72 g/mol. Its IUPAC name is 5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625249
Molecular FormulaC11H8ClF2N3OS
Molecular Weight303.72 g/mol
Exact Mass303.00
IUPAC Name5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(NC(=O)c1nnc(Cl)s1)c1c(F)cccc1F
InChIInChI=1S/C11H8ClF2N3OS/c1-5(8-6(13)3-2-4-7(8)14)15-9(18)10-16-17-11(12)19-10/h2-5H,1H3,(H,15,18)
InChIKeyFNFORIKFRYOXHC-UHFFFAOYSA-N
XLogP2.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(1-naphthalen-1-ylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617813
5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625192
5-chloro-N-[1-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625167
5-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618478
5-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80626107
N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80617996
5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618162
5-chloro-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
CID 80625648
2-bromo-N-[1-(2,6-difluorophenyl)ethyl]pyridine-4-carboxamide
CID 103754324
N-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625854
5-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80626070
5-chloro-N-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625838

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide (CID 80625249) is 5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide is CC(NC(=O)c1nnc(Cl)s1)c1c(F)cccc1F.
What is the InChIKey of 5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is FNFORIKFRYOXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3OS/c1-5(8-6(13)3-2-4-7(8)14)15-9(18)10-16-17-11(12)19-10/h2-5H,1H3,(H,15,18).
What are the key properties of 5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 303.72 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).