N-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide

C18H15FN4O2S — CID 24792434

IUPACN-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)c1ccccc1F)NCc1ccccc1
InChIInChI=1S/C18H15FN4O2S/c19-14-8-4-5-9-16(14)23(18(25)15-12-26-22-21-15)11-17(24)20-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,24)
InChIKeyWEYJYTADDDGGPI-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.64
Rot. Bonds6

About N-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide

N-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide (PubChem CID 24792434) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide
PubChem CID24792434
Molecular FormulaC18H15FN4O2S
Molecular Weight370.41 g/mol
Exact Mass370.09
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)c1ccccc1F)NCc1ccccc1
InChIInChI=1S/C18H15FN4O2S/c19-14-8-4-5-9-16(14)23(18(25)15-12-26-22-21-15)11-17(24)20-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,24)
InChIKeyWEYJYTADDDGGPI-UHFFFAOYSA-N
XLogP2.64
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(2-fluoro-phenyl)-methyl]-cyclopropyl-amide
CID 3222363
N-[4-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide
CID 3010074
N-[4-[1-[3,5-bis(trifluoromethyl)phenyl]ethylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide
CID 3010075
N-[4-[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]carbamothioylamino]phenyl]thiadiazole-4-carboxamide
CID 3010076
[1,2,3]Thiadiazole-4-carboxylic acid [tert-butylcarbamoyl-(4-dimethylamino-phenyl)-methyl]-cyclopropyl-amide
CID 648193
[1,2,3]Thiadiazole-4-carboxylic acid (benzylcarbamoyl-methyl)-(2-chloro-benzyl)-amide
CID 1445672
N-(3,4-dimethylphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 1452284
N-(4-ethylphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 1452372
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide
CID 1452399
[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-phenyl-amide
CID 3219165
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 3219191
[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-(3-methyl-butyl)-amide
CID 3219341

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide (CID 24792434) is N-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide is O=C(CN(C(=O)c1csnn1)c1ccccc1F)NCc1ccccc1.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide?
The InChIKey is WEYJYTADDDGGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c19-14-8-4-5-9-16(14)23(18(25)15-12-26-22-21-15)11-17(24)20-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,24).
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide?
N-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 24792434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).