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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Related Compounds

N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-N-(2-methoxyethyl)benzamide
CID 3212617
2-(4-chlorophenoxy)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)acetamide
CID 3212622
2-(4-chlorophenoxy)-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)acetamide
CID 3230676
N-butyl-N-[5-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)oxy]phenyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
CID 67232133
2-[2-[4-[5-[butyl-(2-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]ethylamino]acetic acid
CID 174634907
1-[[4-[5-[butyl-(2-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]piperidine-4-carboxylic acid
CID 45377937
2-chloro-N-[5-(4-methoxy-3,5-dimethylcyclohexa-1,5-dien-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)benzamide
CID 70895134
N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 3230914
3-[[4-[5-[butyl-(2-chlorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]benzoyl]amino]propanoic acid;2-fluoro-N-[5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)benzamide
CID 87317291
N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 3212712
N-(2-methoxyethyl)-4-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3230573
N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-phenoxyacetamide
CID 3230670

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).