2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(1,3-thiazol-2-yl)heptanamide

C10H3F13N2OS — CID 3799944

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(1,3-thiazol-2-yl)heptanamide
SMILESO=C(Nc1nccs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H3F13N2OS/c11-5(12,3(26)25-4-24-1-2-27-4)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h1-2H,(H,24,25,26)
InChIKeyNRLNKSORUJOYPJ-UHFFFAOYSA-N
MW446.19 g/mol
LogP4.82
Rot. Bonds6

About 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(1,3-thiazol-2-yl)heptanamide

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(1,3-thiazol-2-yl)heptanamide (PubChem CID 3799944) has the molecular formula C10H3F13N2OS and a molecular weight of 446.19 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(1,3-thiazol-2-yl)heptanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(1,3-thiazol-2-yl)heptanamide
PubChem CID3799944
Molecular FormulaC10H3F13N2OS
Molecular Weight446.19 g/mol
Exact Mass445.98
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(1,3-thiazol-2-yl)heptanamide
SMILESO=C(Nc1nccs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H3F13N2OS/c11-5(12,3(26)25-4-24-1-2-27-4)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h1-2H,(H,24,25,26)
InChIKeyNRLNKSORUJOYPJ-UHFFFAOYSA-N
XLogP4.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.19
LogP ≤ 54.82
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

(2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,3-thiazol-2-yl)propanamide
CID 163079215
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
2,2,3,3,4,4,5,5,5-nonafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 4207224
2,2-bis(3-aminopropyl)-N,N'-bis(1,3-thiazol-2-yl)propanediamide
CID 13163904
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
1,3-thiazol-2-ylurea;hydrochloride
CID 118455578
2,2,3,3,4,4,5,5-octafluoro-N,N'-di(pyrimidin-2-yl)hexanediamide
CID 3290678
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-quinolin-8-yloctanamide
CID 15164362
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-hydroxyphenyl)heptanamide
CID 4292897
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 5097188
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N'-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)nonanehydrazide
CID 3089752
N-(1,3-thiazol-2-yl)prop-2-ynamide
CID 45121776

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(1,3-thiazol-2-yl)heptanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(1,3-thiazol-2-yl)heptanamide (CID 3799944) is 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(1,3-thiazol-2-yl)heptanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(1,3-thiazol-2-yl)heptanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(1,3-thiazol-2-yl)heptanamide is O=C(Nc1nccs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(1,3-thiazol-2-yl)heptanamide?
The InChIKey is NRLNKSORUJOYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F13N2OS/c11-5(12,3(26)25-4-24-1-2-27-4)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h1-2H,(H,24,25,26).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(1,3-thiazol-2-yl)heptanamide?
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(1,3-thiazol-2-yl)heptanamide has a molecular weight of 446.19 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(1,3-thiazol-2-yl)heptanamide is sourced from PubChem (CID 3799944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).