N-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide

C16H9ClF2N4O2S — CID 134095579

IUPACN-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H9ClF2N4O2S/c17-9-6-4-8(5-7-9)14-22-23-16(26-14)21-15(25)20-13(24)12-10(18)2-1-3-11(12)19/h1-7H,(H2,20,21,23,24,25)
InChIKeyUOCMNUFEWFFIPN-UHFFFAOYSA-N
MW394.79 g/mol
LogP4.10
Rot. Bonds3

About N-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide

N-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 134095579) has the molecular formula C16H9ClF2N4O2S and a molecular weight of 394.79 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide
PubChem CID134095579
Molecular FormulaC16H9ClF2N4O2S
Molecular Weight394.79 g/mol
Exact Mass394.01
IUPAC NameN-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H9ClF2N4O2S/c17-9-6-4-8(5-7-9)14-22-23-16(26-14)21-15(25)20-13(24)12-10(18)2-1-3-11(12)19/h1-7H,(H2,20,21,23,24,25)
InChIKeyUOCMNUFEWFFIPN-UHFFFAOYSA-N
XLogP4.10
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.79
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide
CID 91183107
N-[(5-chloro-1,3-benzothiazol-2-yl)carbamoyl]-2,6-difluorobenzamide
CID 19935023
1-(4-chlorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea
CID 744032
1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea
CID 881128
2,6-difluoro-N-[(2S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]benzamide
CID 55943131
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 16813777
N-[5-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide
CID 155943040
2-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24649178
4-chloro-2-fluoro-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100536122
[4-[5-[(2,6-difluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]phenyl] 2-bromobenzenesulfonate
CID 175498821
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
CID 99635970
2-chloro-6-fluoro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4305236

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide (CID 134095579) is N-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1nnc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is UOCMNUFEWFFIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N4O2S/c17-9-6-4-8(5-7-9)14-22-23-16(26-14)21-15(25)20-13(24)12-10(18)2-1-3-11(12)19/h1-7H,(H2,20,21,23,24,25).
What are the key properties of N-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide?
N-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 394.79 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 134095579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).