2,2,3,3,4,4,5,5-octafluoro-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide

C14H8F8N2OS — CID 5087587

IUPAC2,2,3,3,4,4,5,5-octafluoro-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H8F8N2OS/c15-9(16)12(17,18)14(21,22)13(19,20)10(25)24-11-23-8(6-26-11)7-4-2-1-3-5-7/h1-6,9H,(H,23,24,25)
InChIKeyDUIQKRCRCIBPSP-UHFFFAOYSA-N
MW404.28 g/mol
LogP4.92
Rot. Bonds6

About 2,2,3,3,4,4,5,5-octafluoro-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide

2,2,3,3,4,4,5,5-octafluoro-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide (PubChem CID 5087587) has the molecular formula C14H8F8N2OS and a molecular weight of 404.28 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
PubChem CID5087587
Molecular FormulaC14H8F8N2OS
Molecular Weight404.28 g/mol
Exact Mass404.02
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H8F8N2OS/c15-9(16)12(17,18)14(21,22)13(19,20)10(25)24-11-23-8(6-26-11)7-4-2-1-3-5-7/h1-6,9H,(H,23,24,25)
InChIKeyDUIQKRCRCIBPSP-UHFFFAOYSA-N
XLogP4.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.28
LogP ≤ 54.92
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

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]heptanamide
CID 4196747
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]nonanamide
CID 4183627
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 3288116
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]nonanamide
CID 5184266
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
phenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate
CID 87406304
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 119670232
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide (CID 5087587) is 2,2,3,3,4,4,5,5-octafluoro-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide is O=C(Nc1nc(-c2ccccc2)cs1)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide?
The InChIKey is DUIQKRCRCIBPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F8N2OS/c15-9(16)12(17,18)14(21,22)13(19,20)10(25)24-11-23-8(6-26-11)7-4-2-1-3-5-7/h1-6,9H,(H,23,24,25).
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide?
2,2,3,3,4,4,5,5-octafluoro-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide has a molecular weight of 404.28 g/mol, XLogP of 4.92, 6 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-octafluoro-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 5087587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).