N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-(2-methoxyethyl)benzamide

C18H15ClFN3O2S — CID 43812677

IUPACN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C18H15ClFN3O2S/c1-25-11-10-23(17(24)14-4-2-3-5-15(14)20)18-22-21-16(26-18)12-6-8-13(19)9-7-12/h2-9H,10-11H2,1H3
InChIKeyOHHSTBDWWFGVKC-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.29
Rot. Bonds6

About N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-(2-methoxyethyl)benzamide

N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-(2-methoxyethyl)benzamide (PubChem CID 43812677) has the molecular formula C18H15ClFN3O2S and a molecular weight of 391.86 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-(2-methoxyethyl)benzamide
PubChem CID43812677
Molecular FormulaC18H15ClFN3O2S
Molecular Weight391.86 g/mol
Exact Mass391.06
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C18H15ClFN3O2S/c1-25-11-10-23(17(24)14-4-2-3-5-15(14)20)18-22-21-16(26-18)12-6-8-13(19)9-7-12/h2-9H,10-11H2,1H3
InChIKeyOHHSTBDWWFGVKC-UHFFFAOYSA-N
XLogP4.29
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-(2-methoxyethyl)benzamide (CID 43812677) is N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-(2-methoxyethyl)benzamide is COCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-(2-methoxyethyl)benzamide?
The InChIKey is OHHSTBDWWFGVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2S/c1-25-11-10-23(17(24)14-4-2-3-5-15(14)20)18-22-21-16(26-18)12-6-8-13(19)9-7-12/h2-9H,10-11H2,1H3.
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-(2-methoxyethyl)benzamide?
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-(2-methoxyethyl)benzamide has a molecular weight of 391.86 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 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]-2-fluoro-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 43812677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).