3-amino-2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one

C9H11F3N2OS — CID 106784773

IUPAC3-amino-2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCC(C)(CN)C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H11F3N2OS/c1-8(2,4-13)6(15)5-3-14-7(16-5)9(10,11)12/h3H,4,13H2,1-2H3
InChIKeyXRFCKCXVCPIKOT-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.33
Rot. Bonds3

About 3-amino-2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one

3-amino-2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (PubChem CID 106784773) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
PubChem CID106784773
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Name3-amino-2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCC(C)(CN)C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H11F3N2OS/c1-8(2,4-13)6(15)5-3-14-7(16-5)9(10,11)12/h3H,4,13H2,1-2H3
InChIKeyXRFCKCXVCPIKOT-UHFFFAOYSA-N
XLogP2.33
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 3-amino-2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (CID 106784773) is 3-amino-2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 3-amino-2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 3-amino-2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one is CC(C)(CN)C(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 3-amino-2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is XRFCKCXVCPIKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c1-8(2,4-13)6(15)5-3-14-7(16-5)9(10,11)12/h3H,4,13H2,1-2H3.
What are the key properties of 3-amino-2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
3-amino-2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 252.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 106784773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).