2-(diethylamino)-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one

C14H21F3N2OS — CID 106782562

IUPAC2-(diethylamino)-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
SMILESCCN(CC)C(CC)(CC)C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H21F3N2OS/c1-5-13(6-2,19(7-3)8-4)11(20)10-9-18-12(21-10)14(15,16)17/h9H,5-8H2,1-4H3
InChIKeyIIGKSZLUBIHTAV-UHFFFAOYSA-N
MW322.40 g/mol
LogP4.25
Rot. Bonds7

About 2-(diethylamino)-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one

2-(diethylamino)-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one (PubChem CID 106782562) has the molecular formula C14H21F3N2OS and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-(diethylamino)-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one.

Molecular Properties

Compound Name2-(diethylamino)-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
PubChem CID106782562
Molecular FormulaC14H21F3N2OS
Molecular Weight322.40 g/mol
Exact Mass322.13
IUPAC Name2-(diethylamino)-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
SMILESCCN(CC)C(CC)(CC)C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H21F3N2OS/c1-5-13(6-2,19(7-3)8-4)11(20)10-9-18-12(21-10)14(15,16)17/h9H,5-8H2,1-4H3
InChIKeyIIGKSZLUBIHTAV-UHFFFAOYSA-N
XLogP4.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106784750
2-ethoxy-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782652
3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782430
3-(dimethylamino)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782611
2-methyl-2-piperidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782554
3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106784989
2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
CID 106784643
2-(tert-butylamino)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106784739
2-ethoxy-3,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782649
4-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106784866
4-(methylamino)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106784647
2-(prop-2-ynylamino)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106784740

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one?
The IUPAC name of 2-(diethylamino)-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one (CID 106782562) is 2-(diethylamino)-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one.
What is the SMILES notation for 2-(diethylamino)-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one?
The canonical SMILES for 2-(diethylamino)-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one is CCN(CC)C(CC)(CC)C(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(diethylamino)-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one?
The InChIKey is IIGKSZLUBIHTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2OS/c1-5-13(6-2,19(7-3)8-4)11(20)10-9-18-12(21-10)14(15,16)17/h9H,5-8H2,1-4H3.
What are the key properties of 2-(diethylamino)-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one?
2-(diethylamino)-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one has a molecular weight of 322.40 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one is sourced from PubChem (CID 106782562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).