2-[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide

C20H32N4O3S — CID 86945653

IUPAC2-[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOCCN1CCN(C(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CC1
InChIInChI=1S/C20H32N4O3S/c1-27-13-12-23-8-10-24(11-9-23)18(26)16-20(5-3-2-4-6-20)15-17(25)22-19-21-7-14-28-19/h7,14H,2-6,8-13,15-16H2,1H3,(H,21,22,25)
InChIKeyDCSZKHVYDRBIDN-UHFFFAOYSA-N
MW408.57 g/mol
LogP2.60
Rot. Bonds8

About 2-[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide

2-[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 86945653) has the molecular formula C20H32N4O3S and a molecular weight of 408.57 g/mol. Its IUPAC name is 2-[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID86945653
Molecular FormulaC20H32N4O3S
Molecular Weight408.57 g/mol
Exact Mass408.22
IUPAC Name2-[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOCCN1CCN(C(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CC1
InChIInChI=1S/C20H32N4O3S/c1-27-13-12-23-8-10-24(11-9-23)18(26)16-20(5-3-2-4-6-20)15-17(25)22-19-21-7-14-28-19/h7,14H,2-6,8-13,15-16H2,1H3,(H,21,22,25)
InChIKeyDCSZKHVYDRBIDN-UHFFFAOYSA-N
XLogP2.60
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 119488005
2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride
CID 119488004
2-[1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86897087
2-[1-[2-oxo-2-(4-phenoxypiperidin-1-yl)ethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86897035
2-[1-[2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86897078
N-[2-(methylamino)propyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 120827381
N-[(2-methoxy-3-pyridinyl)methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 86895877
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-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 86897048
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-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86935159

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide (CID 86945653) is 2-[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide is COCCN1CCN(C(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CC1.
What is the InChIKey of 2-[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is DCSZKHVYDRBIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3S/c1-27-13-12-23-8-10-24(11-9-23)18(26)16-20(5-3-2-4-6-20)15-17(25)22-19-21-7-14-28-19/h7,14H,2-6,8-13,15-16H2,1H3,(H,21,22,25).
What are the key properties of 2-[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 408.57 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 86945653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).