N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroacetamide

C9H11F3N2OS — CID 62490809

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESCc1nc(C)c(C(C)NC(=O)C(F)(F)F)s1
InChIInChI=1S/C9H11F3N2OS/c1-4-7(16-6(3)13-4)5(2)14-8(15)9(10,11)12/h5H,1-3H3,(H,14,15)
InChIKeyDJOXELBNYRUMJF-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.50
Rot. Bonds2

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroacetamide

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 62490809) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID62490809
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESCc1nc(C)c(C(C)NC(=O)C(F)(F)F)s1
InChIInChI=1S/C9H11F3N2OS/c1-4-7(16-6(3)13-4)5(2)14-8(15)9(10,11)12/h5H,1-3H3,(H,14,15)
InChIKeyDJOXELBNYRUMJF-UHFFFAOYSA-N
XLogP2.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroacetamide (CID 62490809) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroacetamide is Cc1nc(C)c(C(C)NC(=O)C(F)(F)F)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is DJOXELBNYRUMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c1-4-7(16-6(3)13-4)5(2)14-8(15)9(10,11)12/h5H,1-3H3,(H,14,15).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroacetamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 252.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 62490809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).