2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C11H10F7N3O2S — CID 4128220

IUPAC2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)sc1C(=O)N(C)C
InChIInChI=1S/C11H10F7N3O2S/c1-4-5(6(22)21(2)3)24-8(19-4)20-7(23)9(12,13)10(14,15)11(16,17)18/h1-3H3,(H,19,20,23)
InChIKeyGIELSYBGYAUWPP-UHFFFAOYSA-N
MW381.27 g/mol
LogP2.92
Rot. Bonds4

About 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 4128220) has the molecular formula C11H10F7N3O2S and a molecular weight of 381.27 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID4128220
Molecular FormulaC11H10F7N3O2S
Molecular Weight381.27 g/mol
Exact Mass381.04
IUPAC Name2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)sc1C(=O)N(C)C
InChIInChI=1S/C11H10F7N3O2S/c1-4-5(6(22)21(2)3)24-8(19-4)20-7(23)9(12,13)10(14,15)11(16,17)18/h1-3H3,(H,19,20,23)
InChIKeyGIELSYBGYAUWPP-UHFFFAOYSA-N
XLogP2.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 4128220) is 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)sc1C(=O)N(C)C.
What is the InChIKey of 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is GIELSYBGYAUWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F7N3O2S/c1-4-5(6(22)21(2)3)24-8(19-4)20-7(23)9(12,13)10(14,15)11(16,17)18/h1-3H3,(H,19,20,23).
What are the key properties of 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 381.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 4128220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).