N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C19H23FN2O2S — CID 47921613

IUPACN-[[1-(3-fluorophenyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCC1(c2cccc(F)c2)CCCCC1
InChIInChI=1S/C19H23FN2O2S/c1-14-12-25-18(24)22(14)11-17(23)21-13-19(8-3-2-4-9-19)15-6-5-7-16(20)10-15/h5-7,10,12H,2-4,8-9,11,13H2,1H3,(H,21,23)
InChIKeyAFQRQYFVFXDXOD-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.38
Rot. Bonds5

About N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 47921613) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID47921613
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC NameN-[[1-(3-fluorophenyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCC1(c2cccc(F)c2)CCCCC1
InChIInChI=1S/C19H23FN2O2S/c1-14-12-25-18(24)22(14)11-17(23)21-13-19(8-3-2-4-9-19)15-6-5-7-16(20)10-15/h5-7,10,12H,2-4,8-9,11,13H2,1H3,(H,21,23)
InChIKeyAFQRQYFVFXDXOD-UHFFFAOYSA-N
XLogP3.38
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-(4-methyltriazol-1-yl)acetamide
CID 46972124
3-[2-(3-fluorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 62024519
1-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119332781
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91797143
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(2-oxopiperidin-1-yl)propanamide
CID 91842555
3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
CID 119295111
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 110479509
2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]acetamide
CID 58012088
N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide
CID 132968647
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide
CID 110025489
6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide
CID 110482650
3-(2-aminoethoxy)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-4-methylbenzamide
CID 118774604

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 47921613) is N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)NCC1(c2cccc(F)c2)CCCCC1.
What is the InChIKey of N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is AFQRQYFVFXDXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-14-12-25-18(24)22(14)11-17(23)21-13-19(8-3-2-4-9-19)15-6-5-7-16(20)10-15/h5-7,10,12H,2-4,8-9,11,13H2,1H3,(H,21,23).
What are the key properties of N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 362.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 47921613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).