N-(3-chloro-4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide

C18H13ClF2N4O2S — CID 24792527

IUPACN-(3-chloro-4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)c1ccc(F)c(Cl)c1)NCc1ccc(F)cc1
InChIInChI=1S/C18H13ClF2N4O2S/c19-14-7-13(5-6-15(14)21)25(18(27)16-10-28-24-23-16)9-17(26)22-8-11-1-3-12(20)4-2-11/h1-7,10H,8-9H2,(H,22,26)
InChIKeyTWKSEYHKWVJECA-UHFFFAOYSA-N
MW422.84 g/mol
LogP3.43
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide

N-(3-chloro-4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide (PubChem CID 24792527) has the molecular formula C18H13ClF2N4O2S and a molecular weight of 422.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
PubChem CID24792527
Molecular FormulaC18H13ClF2N4O2S
Molecular Weight422.84 g/mol
Exact Mass422.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)c1ccc(F)c(Cl)c1)NCc1ccc(F)cc1
InChIInChI=1S/C18H13ClF2N4O2S/c19-14-7-13(5-6-15(14)21)25(18(27)16-10-28-24-23-16)9-17(26)22-8-11-1-3-12(20)4-2-11/h1-7,10H,8-9H2,(H,22,26)
InChIKeyTWKSEYHKWVJECA-UHFFFAOYSA-N
XLogP3.43
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.84
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[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 (3-chloro-phenyl)-cyclopentylcarbamoylmethyl-amide
CID 1467648
[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-phenyl-amide
CID 3219165
[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
N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(2-phenylphenyl)thiadiazole-4-carboxamide
CID 3222136
[1,2,3]Thiadiazole-4-carboxylic acid (phenethylcarbamoyl-methyl)-p-tolyl-amide
CID 24792289
[1,2,3]Thiadiazole-4-carboxylic acid cyclohexylcarbamoylmethyl-(2,6-dimethyl-phenyl)-amide
CID 24792722
[1,2,3]Thiadiazole-4-carboxylic acid, (benzylcarbamoylmethyl)-(2-fluorophenyl)amide
CID 24792434

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide (CID 24792527) is N-(3-chloro-4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide is O=C(CN(C(=O)c1csnn1)c1ccc(F)c(Cl)c1)NCc1ccc(F)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide?
The InChIKey is TWKSEYHKWVJECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N4O2S/c19-14-7-13(5-6-15(14)21)25(18(27)16-10-28-24-23-16)9-17(26)22-8-11-1-3-12(20)4-2-11/h1-7,10H,8-9H2,(H,22,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide has a molecular weight of 422.84 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 24792527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).