2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]-N-methylacetamide

C12H16F2N2OS — CID 122148367

IUPAC2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCNC(=O)Cc1nc(C2CCC(F)(F)CC2)cs1
InChIInChI=1S/C12H16F2N2OS/c1-15-10(17)6-11-16-9(7-18-11)8-2-4-12(13,14)5-3-8/h7-8H,2-6H2,1H3,(H,15,17)
InChIKeyVGNCUADGGOMOKU-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.72
Rot. Bonds3

About 2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]-N-methylacetamide

2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]-N-methylacetamide (PubChem CID 122148367) has the molecular formula C12H16F2N2OS and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]-N-methylacetamide
PubChem CID122148367
Molecular FormulaC12H16F2N2OS
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCNC(=O)Cc1nc(C2CCC(F)(F)CC2)cs1
InChIInChI=1S/C12H16F2N2OS/c1-15-10(17)6-11-16-9(7-18-11)8-2-4-12(13,14)5-3-8/h7-8H,2-6H2,1H3,(H,15,17)
InChIKeyVGNCUADGGOMOKU-UHFFFAOYSA-N
XLogP2.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione
CID 100638102
2-(4-ethyl-1,3-thiazol-2-yl)-N-methylacetamide
CID 131039339
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 16768117
2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]guanidine
CID 136536293
N-buta-2,3-dienyl-2-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide
CID 136559607
4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole
CID 112691564
1-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 128922225
N-[1-[6-(4,4-difluorocyclohexyl)-2-pyridinyl]-2-(methylamino)-2-oxoethyl]-2-methylpropanamide
CID 171593958
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 120704485
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 126792438
2-[4-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 95786215
2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 111758207

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]-N-methylacetamide (CID 122148367) is 2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]-N-methylacetamide is CNC(=O)Cc1nc(C2CCC(F)(F)CC2)cs1.
What is the InChIKey of 2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]-N-methylacetamide?
The InChIKey is VGNCUADGGOMOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2OS/c1-15-10(17)6-11-16-9(7-18-11)8-2-4-12(13,14)5-3-8/h7-8H,2-6H2,1H3,(H,15,17).
What are the key properties of 2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]-N-methylacetamide?
2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]-N-methylacetamide has a molecular weight of 274.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 122148367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).