N-[(4-chlorophenyl)methyl]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide

C19H16ClFN4O2S — CID 24761928

IUPACN-[(4-chlorophenyl)methyl]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
SMILESO=C(CN(Cc1ccc(Cl)cc1)C(=O)c1csnn1)NCc1ccc(F)cc1
InChIInChI=1S/C19H16ClFN4O2S/c20-15-5-1-14(2-6-15)10-25(19(27)17-12-28-24-23-17)11-18(26)22-9-13-3-7-16(21)8-4-13/h1-8,12H,9-11H2,(H,22,26)
InChIKeyIXILCGDDEWNQRG-UHFFFAOYSA-N
MW418.88 g/mol
LogP3.29
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide

N-[(4-chlorophenyl)methyl]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide (PubChem CID 24761928) has the molecular formula C19H16ClFN4O2S and a molecular weight of 418.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
PubChem CID24761928
Molecular FormulaC19H16ClFN4O2S
Molecular Weight418.88 g/mol
Exact Mass418.07
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
SMILESO=C(CN(Cc1ccc(Cl)cc1)C(=O)c1csnn1)NCc1ccc(F)cc1
InChIInChI=1S/C19H16ClFN4O2S/c20-15-5-1-14(2-6-15)10-25(19(27)17-12-28-24-23-17)11-18(26)22-9-13-3-7-16(21)8-4-13/h1-8,12H,9-11H2,(H,22,26)
InChIKeyIXILCGDDEWNQRG-UHFFFAOYSA-N
XLogP3.29
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1,2,3]Thiadiazole-4-carboxylic acid allyl-[(4-chloro-phenyl)-cyclopentylcarbamoyl-methyl]-amide
CID 3219477
[1,2,3]Thiadiazole-4-carboxylic acid (benzylcarbamoyl-methyl)-(2-chloro-benzyl)-amide
CID 1445672
N-(4-ethylphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 1452372
[1,2,3]Thiadiazole-4-carboxylic acid allyl-[(4-chloro-phenyl)-cyclohexylcarbamoyl-methyl]-amide
CID 3219478
[1,2,3]Thiadiazole-4-carboxylic acid (5-chloro-2-methyl-phenyl)-cyclopentylcarbamoylmethyl-amide
CID 3222122
[1,2,3]Thiadiazole-4-carboxylic acid benzyl-[cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-amide
CID 3222171
N-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide
CID 3222295
[1,2,3]Thiadiazole-4-carboxylic acid [(4-fluoro-benzylcarbamoyl)-methyl]-(2-m-tolyl-ethyl)-amide
CID 3222305
[1,2,3]Thiadiazole-4-carboxylic acid [cyclohexylcarbamoyl-(2-fluoro-phenyl)-methyl]-cyclopentyl-amide
CID 3222432
[1,2,3]Thiadiazole-4-carboxylic acid allyl-[benzylcarbamoyl-(2-fluoro-phenyl)-methyl]-amide
CID 3222519
[1,2,3]Thiadiazole-4-carboxylic acid benzyl-(phenethylcarbamoyl-methyl)-amide
CID 24793345
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-methyl-1,2,3-thiadiazole-4-carboxamide
CID 53320178

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide (CID 24761928) is N-[(4-chlorophenyl)methyl]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide is O=C(CN(Cc1ccc(Cl)cc1)C(=O)c1csnn1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide?
The InChIKey is IXILCGDDEWNQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2S/c20-15-5-1-14(2-6-15)10-25(19(27)17-12-28-24-23-17)11-18(26)22-9-13-3-7-16(21)8-4-13/h1-8,12H,9-11H2,(H,22,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide?
N-[(4-chlorophenyl)methyl]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide has a molecular weight of 418.88 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 24761928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).