1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone

C7H7F3N2OS — CID 13144633

IUPAC1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone
SMILESCN(C)c1ncc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C7H7F3N2OS/c1-12(2)6-11-3-4(14-6)5(13)7(8,9)10/h3H,1-2H3
InChIKeyGVONLHLQMTVQKL-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.95
Rot. Bonds2

About 1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone

1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone (PubChem CID 13144633) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone
PubChem CID13144633
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC Name1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone
SMILESCN(C)c1ncc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C7H7F3N2OS/c1-12(2)6-11-3-4(14-6)5(13)7(8,9)10/h3H,1-2H3
InChIKeyGVONLHLQMTVQKL-UHFFFAOYSA-N
XLogP1.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone (CID 13144633) is 1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone is CN(C)c1ncc(C(=O)C(F)(F)F)s1.
What is the InChIKey of 1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone?
The InChIKey is GVONLHLQMTVQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c1-12(2)6-11-3-4(14-6)5(13)7(8,9)10/h3H,1-2H3.
What are the key properties of 1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone?
1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone has a molecular weight of 224.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 13144633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).