2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanone

C15H21F2NOS — CID 105118367

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanone
SMILESCC(C)(C)c1csc(CC(=O)C2CCC(F)(F)CC2)n1
InChIInChI=1S/C15H21F2NOS/c1-14(2,3)12-9-20-13(18-12)8-11(19)10-4-6-15(16,17)7-5-10/h9-10H,4-8H2,1-3H3
InChIKeyIMTIVSVQPYEYRI-UHFFFAOYSA-N
MW301.40 g/mol
LogP4.38
Rot. Bonds3

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanone

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanone (PubChem CID 105118367) has the molecular formula C15H21F2NOS and a molecular weight of 301.40 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanone.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanone
PubChem CID105118367
Molecular FormulaC15H21F2NOS
Molecular Weight301.40 g/mol
Exact Mass301.13
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanone
SMILESCC(C)(C)c1csc(CC(=O)C2CCC(F)(F)CC2)n1
InChIInChI=1S/C15H21F2NOS/c1-14(2,3)12-9-20-13(18-12)8-11(19)10-4-6-15(16,17)7-5-10/h9-10H,4-8H2,1-3H3
InChIKeyIMTIVSVQPYEYRI-UHFFFAOYSA-N
XLogP4.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hexyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]octan-1-one
CID 138627846
2-Propyl-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]nonan-1-one
CID 150419911
[4-(Trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 166045434
3-(4-Tert-butyl-1,3-thiazol-2-yl)-1,1,1-trifluoropropan-2-one
CID 79819719
1-(4-Tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-one
CID 79820022
1-(4-Tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-one
CID 79954595
1-(4-Tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-one
CID 103311529
2-(2-Methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
CID 105108745
2-(2-Methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 105108748
1-(4,4-Difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105108771
2-(4-Methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
CID 105120649
1-(4,4-Difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 105120670

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanone?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanone (CID 105118367) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanone.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanone?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanone is CC(C)(C)c1csc(CC(=O)C2CCC(F)(F)CC2)n1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanone?
The InChIKey is IMTIVSVQPYEYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NOS/c1-14(2,3)12-9-20-13(18-12)8-11(19)10-4-6-15(16,17)7-5-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanone?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanone has a molecular weight of 301.40 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanone is sourced from PubChem (CID 105118367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).