N-[2-(3,4,5-trifluorophenyl)ethyl]thiadiazole-4-carboxamide

C11H8F3N3OS — CID 75500898

IUPACN-[2-(3,4,5-trifluorophenyl)ethyl]thiadiazole-4-carboxamide
SMILESO=C(NCCc1cc(F)c(F)c(F)c1)c1csnn1
InChIInChI=1S/C11H8F3N3OS/c12-7-3-6(4-8(13)10(7)14)1-2-15-11(18)9-5-19-17-16-9/h3-5H,1-2H2,(H,15,18)
InChIKeyGQRXBBWCTYFDQC-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.93
Rot. Bonds4

About N-[2-(3,4,5-trifluorophenyl)ethyl]thiadiazole-4-carboxamide

N-[2-(3,4,5-trifluorophenyl)ethyl]thiadiazole-4-carboxamide (PubChem CID 75500898) has the molecular formula C11H8F3N3OS and a molecular weight of 287.27 g/mol. Its IUPAC name is N-[2-(3,4,5-trifluorophenyl)ethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4,5-trifluorophenyl)ethyl]thiadiazole-4-carboxamide
PubChem CID75500898
Molecular FormulaC11H8F3N3OS
Molecular Weight287.27 g/mol
Exact Mass287.03
IUPAC NameN-[2-(3,4,5-trifluorophenyl)ethyl]thiadiazole-4-carboxamide
SMILESO=C(NCCc1cc(F)c(F)c(F)c1)c1csnn1
InChIInChI=1S/C11H8F3N3OS/c12-7-3-6(4-8(13)10(7)14)1-2-15-11(18)9-5-19-17-16-9/h3-5H,1-2H2,(H,15,18)
InChIKeyGQRXBBWCTYFDQC-UHFFFAOYSA-N
XLogP1.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(2-fluoro-phenyl)-methyl]-cyclopropyl-amide
CID 3222363
N-[4-(1,2,3-thiadiazol-4-yl)benzyl]acrylamide
CID 2739264
N-(4-ethylphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 1452372
[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-(3-methyl-butyl)-amide
CID 3219341
[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
[1,2,3]Thiadiazole-4-carboxylic acid, (benzylcarbamoylmethyl)-(2-fluorophenyl)amide
CID 24792434

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4,5-trifluorophenyl)ethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(3,4,5-trifluorophenyl)ethyl]thiadiazole-4-carboxamide (CID 75500898) is N-[2-(3,4,5-trifluorophenyl)ethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,4,5-trifluorophenyl)ethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(3,4,5-trifluorophenyl)ethyl]thiadiazole-4-carboxamide is O=C(NCCc1cc(F)c(F)c(F)c1)c1csnn1.
What is the InChIKey of N-[2-(3,4,5-trifluorophenyl)ethyl]thiadiazole-4-carboxamide?
The InChIKey is GQRXBBWCTYFDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3OS/c12-7-3-6(4-8(13)10(7)14)1-2-15-11(18)9-5-19-17-16-9/h3-5H,1-2H2,(H,15,18).
What are the key properties of N-[2-(3,4,5-trifluorophenyl)ethyl]thiadiazole-4-carboxamide?
N-[2-(3,4,5-trifluorophenyl)ethyl]thiadiazole-4-carboxamide has a molecular weight of 287.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4,5-trifluorophenyl)ethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 75500898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).