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

C16H8Cl2F2N4O2S — CID 91183107

IUPACN-[[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1nnc(-c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C16H8Cl2F2N4O2S/c17-7-4-5-8(9(18)6-7)14-23-24-16(27-14)22-15(26)21-13(25)12-10(19)2-1-3-11(12)20/h1-6H,(H2,21,22,24,25,26)
InChIKeyWWQNPHAODUMWHG-UHFFFAOYSA-N
MW429.24 g/mol
LogP4.75
Rot. Bonds3

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

N-[[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 91183107) has the molecular formula C16H8Cl2F2N4O2S and a molecular weight of 429.24 g/mol. Its IUPAC name is N-[[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide
PubChem CID91183107
Molecular FormulaC16H8Cl2F2N4O2S
Molecular Weight429.24 g/mol
Exact Mass427.97
IUPAC NameN-[[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1nnc(-c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C16H8Cl2F2N4O2S/c17-7-4-5-8(9(18)6-7)14-23-24-16(27-14)22-15(26)21-13(25)12-10(19)2-1-3-11(12)20/h1-6H,(H2,21,22,24,25,26)
InChIKeyWWQNPHAODUMWHG-UHFFFAOYSA-N
XLogP4.75
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.24
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide (CID 91183107) is N-[[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1nnc(-c2ccc(Cl)cc2Cl)s1.
What is the InChIKey of N-[[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is WWQNPHAODUMWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2F2N4O2S/c17-7-4-5-8(9(18)6-7)14-23-24-16(27-14)22-15(26)21-13(25)12-10(19)2-1-3-11(12)20/h1-6H,(H2,21,22,24,25,26).
What are the key properties of N-[[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide?
N-[[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 429.24 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 91183107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).