N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,3,3-tetrafluoropropanamide

C7H7F4N3OS — CID 103733154

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCCc1nnc(NC(=O)C(F)(F)C(F)F)s1
InChIInChI=1S/C7H7F4N3OS/c1-2-3-13-14-6(16-3)12-5(15)7(10,11)4(8)9/h4H,2H2,1H3,(H,12,14,15)
InChIKeyAVOWRGWNLSRMBO-UHFFFAOYSA-N
MW257.21 g/mol
LogP1.94
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,3,3-tetrafluoropropanamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103733154) has the molecular formula C7H7F4N3OS and a molecular weight of 257.21 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103733154
Molecular FormulaC7H7F4N3OS
Molecular Weight257.21 g/mol
Exact Mass257.02
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCCc1nnc(NC(=O)C(F)(F)C(F)F)s1
InChIInChI=1S/C7H7F4N3OS/c1-2-3-13-14-6(16-3)12-5(15)7(10,11)4(8)9/h4H,2H2,1H3,(H,12,14,15)
InChIKeyAVOWRGWNLSRMBO-UHFFFAOYSA-N
XLogP1.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
CID 692810
2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
CID 103827482
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 107641479
2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate
CID 18877667
2-(4-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
CID 82546736
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 6621602
N-(4-ethylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731916
2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 103668444
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120456
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 47020205
2-(dimethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 19256783

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,3,3-tetrafluoropropanamide (CID 103733154) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,3,3-tetrafluoropropanamide is CCc1nnc(NC(=O)C(F)(F)C(F)F)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is AVOWRGWNLSRMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4N3OS/c1-2-3-13-14-6(16-3)12-5(15)7(10,11)4(8)9/h4H,2H2,1H3,(H,12,14,15).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,3,3-tetrafluoropropanamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 257.21 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103733154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).