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

C8H8F4N2OS — CID 103732943

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCc1nc(NC(=O)C(F)(F)C(F)F)sc1C
InChIInChI=1S/C8H8F4N2OS/c1-3-4(2)16-7(13-3)14-6(15)8(11,12)5(9)10/h5H,1-2H3,(H,13,14,15)
InChIKeyVMSBMYMSQUFCCS-UHFFFAOYSA-N
MW256.22 g/mol
LogP2.60
Rot. Bonds3

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103732943) has the molecular formula C8H8F4N2OS and a molecular weight of 256.22 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103732943
Molecular FormulaC8H8F4N2OS
Molecular Weight256.22 g/mol
Exact Mass256.03
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCc1nc(NC(=O)C(F)(F)C(F)F)sc1C
InChIInChI=1S/C8H8F4N2OS/c1-3-4(2)16-7(13-3)14-6(15)8(11,12)5(9)10/h5H,1-2H3,(H,13,14,15)
InChIKeyVMSBMYMSQUFCCS-UHFFFAOYSA-N
XLogP2.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 52.60
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-tetrafluoropropanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide (CID 103732943) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide is Cc1nc(NC(=O)C(F)(F)C(F)F)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is VMSBMYMSQUFCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2OS/c1-3-4(2)16-7(13-3)14-6(15)8(11,12)5(9)10/h5H,1-2H3,(H,13,14,15).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 256.22 g/mol, XLogP of 2.60, 3 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-tetrafluoropropanamide is sourced from PubChem (CID 103732943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).