1-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone

C8H9F3N2OS — CID 13144634

IUPAC1-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone
SMILESCc1nc(N(C)C)sc1C(=O)C(F)(F)F
InChIInChI=1S/C8H9F3N2OS/c1-4-5(6(14)8(9,10)11)15-7(12-4)13(2)3/h1-3H3
InChIKeyUHDBMMALADJBRS-UHFFFAOYSA-N
MW238.23 g/mol
LogP2.26
Rot. Bonds2

About 1-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone

1-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone (PubChem CID 13144634) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone
PubChem CID13144634
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name1-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone
SMILESCc1nc(N(C)C)sc1C(=O)C(F)(F)F
InChIInChI=1S/C8H9F3N2OS/c1-4-5(6(14)8(9,10)11)15-7(12-4)13(2)3/h1-3H3
InChIKeyUHDBMMALADJBRS-UHFFFAOYSA-N
XLogP2.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone (CID 13144634) is 1-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone is Cc1nc(N(C)C)sc1C(=O)C(F)(F)F.
What is the InChIKey of 1-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone?
The InChIKey is UHDBMMALADJBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c1-4-5(6(14)8(9,10)11)15-7(12-4)13(2)3/h1-3H3.
What are the key properties of 1-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone?
1-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone has a molecular weight of 238.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 13144634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).