N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide

C18H28N4O3S — CID 55527354

IUPACN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCC1CN(Cc2csc(NC(=O)CN3CCCCCC3=O)n2)CC(C)O1
InChIInChI=1S/C18H28N4O3S/c1-13-8-21(9-14(2)25-13)10-15-12-26-18(19-15)20-16(23)11-22-7-5-3-4-6-17(22)24/h12-14H,3-11H2,1-2H3,(H,19,20,23)
InChIKeyCWJOTSDGMKFVTJ-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.09
Rot. Bonds5

About N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide

N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 55527354) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID55527354
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC NameN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCC1CN(Cc2csc(NC(=O)CN3CCCCCC3=O)n2)CC(C)O1
InChIInChI=1S/C18H28N4O3S/c1-13-8-21(9-14(2)25-13)10-15-12-26-18(19-15)20-16(23)11-22-7-5-3-4-6-17(22)24/h12-14H,3-11H2,1-2H3,(H,19,20,23)
InChIKeyCWJOTSDGMKFVTJ-UHFFFAOYSA-N
XLogP2.09
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide (CID 55527354) is N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide is CC1CN(Cc2csc(NC(=O)CN3CCCCCC3=O)n2)CC(C)O1.
What is the InChIKey of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is CWJOTSDGMKFVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-13-8-21(9-14(2)25-13)10-15-12-26-18(19-15)20-16(23)11-22-7-5-3-4-6-17(22)24/h12-14H,3-11H2,1-2H3,(H,19,20,23).
What are the key properties of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide?
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 380.51 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 55527354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).