N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide

C9H7F5N2OS — CID 114038201

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(Nc1nc(C2CC2)cs1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H7F5N2OS/c10-8(11,9(12,13)14)6(17)16-7-15-5(3-18-7)4-1-2-4/h3-4H,1-2H2,(H,15,16,17)
InChIKeyMYUIRJHXHAOXII-UHFFFAOYSA-N
MW286.23 g/mol
LogP3.16
Rot. Bonds3

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide (PubChem CID 114038201) has the molecular formula C9H7F5N2OS and a molecular weight of 286.23 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide
PubChem CID114038201
Molecular FormulaC9H7F5N2OS
Molecular Weight286.23 g/mol
Exact Mass286.02
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(Nc1nc(C2CC2)cs1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H7F5N2OS/c10-8(11,9(12,13)14)6(17)16-7-15-5(3-18-7)4-1-2-4/h3-4H,1-2H2,(H,15,16,17)
InChIKeyMYUIRJHXHAOXII-UHFFFAOYSA-N
XLogP3.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 60741010
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
CID 824432
4-(2,2-Difluorocyclopropyl)-1,3-thiazol-2-amine
CID 165692054
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
CID 3890722
methyl N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,3,3-trifluoro-2-(propanoylamino)alaninate
CID 4260667
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 42959444
3-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
CID 45884392
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 47163183
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86812543
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethylbutanamide
CID 96506053
(1R)-2,2-difluoro-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 164641547
2,2,2-trifluoro-N-[4-(4-methyl-3-oxopentyl)-1,3-thiazol-2-yl]acetamide
CID 22572804

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide (CID 114038201) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide is O=C(Nc1nc(C2CC2)cs1)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is MYUIRJHXHAOXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2OS/c10-8(11,9(12,13)14)6(17)16-7-15-5(3-18-7)4-1-2-4/h3-4H,1-2H2,(H,15,16,17).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 286.23 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 114038201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).