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

C21H26FN3O2S — CID 86896977

IUPAC2-[1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN(Cc1cccc(F)c1)C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1
InChIInChI=1S/C21H26FN3O2S/c1-25(15-16-6-5-7-17(22)12-16)19(27)14-21(8-3-2-4-9-21)13-18(26)24-20-23-10-11-28-20/h5-7,10-12H,2-4,8-9,13-15H2,1H3,(H,23,24,26)
InChIKeyFOEZDXQSRVNOLE-UHFFFAOYSA-N
MW403.52 g/mol
LogP4.61
Rot. Bonds7

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

2-[1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 86896977) has the molecular formula C21H26FN3O2S and a molecular weight of 403.52 g/mol. Its IUPAC name is 2-[1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID86896977
Molecular FormulaC21H26FN3O2S
Molecular Weight403.52 g/mol
Exact Mass403.17
IUPAC Name2-[1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN(Cc1cccc(F)c1)C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1
InChIInChI=1S/C21H26FN3O2S/c1-25(15-16-6-5-7-17(22)12-16)19(27)14-21(8-3-2-4-9-21)13-18(26)24-20-23-10-11-28-20/h5-7,10-12H,2-4,8-9,13-15H2,1H3,(H,23,24,26)
InChIKeyFOEZDXQSRVNOLE-UHFFFAOYSA-N
XLogP4.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86972048
2-[1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86945883
2-[1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86896978
N-[2-(methylamino)propyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 120827381
2-[benzyl(methyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134023
1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 127514333
2-[1-(aminomethyl)cyclohexyl]-N-[(3-bromophenyl)methyl]-N-methylacetamide
CID 104677898
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 86896980
1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65466557
2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride
CID 119488004
5-acetamido-2-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 141216526
2-[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86945653

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide (CID 86896977) is 2-[1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide is CN(Cc1cccc(F)c1)C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1.
What is the InChIKey of 2-[1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is FOEZDXQSRVNOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2S/c1-25(15-16-6-5-7-17(22)12-16)19(27)14-21(8-3-2-4-9-21)13-18(26)24-20-23-10-11-28-20/h5-7,10-12H,2-4,8-9,13-15H2,1H3,(H,23,24,26).
What are the key properties of 2-[1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 403.52 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 86896977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).