N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide

C10H7F9N2OS — CID 5109657

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESCc1nc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)sc1C
InChIInChI=1S/C10H7F9N2OS/c1-3-4(2)23-6(20-3)21-5(22)7(11,12)8(13,14)9(15,16)10(17,18)19/h1-2H3,(H,20,21,22)
InChIKeyOKJRQCIQAMBNLX-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.17
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (PubChem CID 5109657) has the molecular formula C10H7F9N2OS and a molecular weight of 374.23 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
PubChem CID5109657
Molecular FormulaC10H7F9N2OS
Molecular Weight374.23 g/mol
Exact Mass374.01
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESCc1nc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)sc1C
InChIInChI=1S/C10H7F9N2OS/c1-3-4(2)23-6(20-3)21-5(22)7(11,12)8(13,14)9(15,16)10(17,18)19/h1-2H3,(H,20,21,22)
InChIKeyOKJRQCIQAMBNLX-UHFFFAOYSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (CID 5109657) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is Cc1nc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The InChIKey is OKJRQCIQAMBNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F9N2OS/c1-3-4(2)23-6(20-3)21-5(22)7(11,12)8(13,14)9(15,16)10(17,18)19/h1-2H3,(H,20,21,22).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide has a molecular weight of 374.23 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is sourced from PubChem (CID 5109657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).