N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide

C9H11F3N2OS — CID 824432

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESCC(C)(C)c1csc(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C9H11F3N2OS/c1-8(2,3)5-4-16-7(13-5)14-6(15)9(10,11)12/h4H,1-3H3,(H,13,14,15)
InChIKeyBVXMUHPPMLZTRL-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.94
Rot. Bonds1

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 824432) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
PubChem CID824432
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESCC(C)(C)c1csc(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C9H11F3N2OS/c1-8(2,3)5-4-16-7(13-5)14-6(15)9(10,11)12/h4H,1-3H3,(H,13,14,15)
InChIKeyBVXMUHPPMLZTRL-UHFFFAOYSA-N
XLogP2.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (CID 824432) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is CC(C)(C)c1csc(NC(=O)C(F)(F)F)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is BVXMUHPPMLZTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c1-8(2,3)5-4-16-7(13-5)14-6(15)9(10,11)12/h4H,1-3H3,(H,13,14,15).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 252.26 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 824432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).