2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methyl-1,3-thiazol-2-yl)pentanamide

C9H5F9N2OS — CID 4119870

IUPAC2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
SMILESCc1csc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C9H5F9N2OS/c1-3-2-22-5(19-3)20-4(21)6(10,11)7(12,13)8(14,15)9(16,17)18/h2H,1H3,(H,19,20,21)
InChIKeyDEBUEDAIOKGCGG-UHFFFAOYSA-N
MW360.20 g/mol
LogP3.86
Rot. Bonds4

About 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methyl-1,3-thiazol-2-yl)pentanamide

2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methyl-1,3-thiazol-2-yl)pentanamide (PubChem CID 4119870) has the molecular formula C9H5F9N2OS and a molecular weight of 360.20 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methyl-1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
PubChem CID4119870
Molecular FormulaC9H5F9N2OS
Molecular Weight360.20 g/mol
Exact Mass360.00
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
SMILESCc1csc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C9H5F9N2OS/c1-3-2-22-5(19-3)20-4(21)6(10,11)7(12,13)8(14,15)9(16,17)18/h2H,1H3,(H,19,20,21)
InChIKeyDEBUEDAIOKGCGG-UHFFFAOYSA-N
XLogP3.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 53.86
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

2-Acetamido-4-methylthiazole
CID 280907
Acetamide, N-(4-(trifluoromethyl)-2-thiazolyl)-
CID 1229692
N-(4-methylthiazol-2-yl)propionamide
CID 3613666
N-(4-methyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2679296
2,2,2-trifluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1229693
N-(4-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 2421541
N-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanamide
CID 252400
2,2,2-Trifluoro-N-[4-(trifluoromethyl)-2-thiazolyl]acetamide
CID 15710699
3,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 3902865
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(4-methyl-1,3-thiazol-2-yl)nonanamide
CID 3423312
2,2,3,3-tetrafluoro-N,N'-bis(4-methyl-1,3-thiazol-2-yl)butanediamide
CID 4582088
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(4-methyl-1,3-thiazol-2-yl)nonanamide
CID 5026318

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methyl-1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methyl-1,3-thiazol-2-yl)pentanamide (CID 4119870) is 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methyl-1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methyl-1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methyl-1,3-thiazol-2-yl)pentanamide is Cc1csc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methyl-1,3-thiazol-2-yl)pentanamide?
The InChIKey is DEBUEDAIOKGCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F9N2OS/c1-3-2-22-5(19-3)20-4(21)6(10,11)7(12,13)8(14,15)9(16,17)18/h2H,1H3,(H,19,20,21).
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methyl-1,3-thiazol-2-yl)pentanamide?
2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methyl-1,3-thiazol-2-yl)pentanamide has a molecular weight of 360.20 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methyl-1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 4119870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).