N-(1,3-thiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide

C9H8F6N2OS — CID 658974

IUPACN-(1,3-thiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide
SMILESCCC(C(=O)Nc1nccs1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F6N2OS/c1-2-7(8(10,11)12,9(13,14)15)5(18)17-6-16-3-4-19-6/h3-4H,2H2,1H3,(H,16,17,18)
InChIKeyLMRNYPTZODFOFJ-UHFFFAOYSA-N
MW306.23 g/mol
LogP3.60
Rot. Bonds3

About N-(1,3-thiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide

N-(1,3-thiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide (PubChem CID 658974) has the molecular formula C9H8F6N2OS and a molecular weight of 306.23 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide
PubChem CID658974
Molecular FormulaC9H8F6N2OS
Molecular Weight306.23 g/mol
Exact Mass306.03
IUPAC NameN-(1,3-thiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide
SMILESCCC(C(=O)Nc1nccs1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F6N2OS/c1-2-7(8(10,11)12,9(13,14)15)5(18)17-6-16-3-4-19-6/h3-4H,2H2,1H3,(H,16,17,18)
InChIKeyLMRNYPTZODFOFJ-UHFFFAOYSA-N
XLogP3.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide (CID 658974) is N-(1,3-thiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide is CCC(C(=O)Nc1nccs1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide?
The InChIKey is LMRNYPTZODFOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6N2OS/c1-2-7(8(10,11)12,9(13,14)15)5(18)17-6-16-3-4-19-6/h3-4H,2H2,1H3,(H,16,17,18).
What are the key properties of N-(1,3-thiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide?
N-(1,3-thiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide has a molecular weight of 306.23 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide is sourced from PubChem (CID 658974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).