1-(2,6-dimethylmorpholin-4-yl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone

C16H27N3O2S — CID 71868850

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone
SMILESCc1nc(C(C)(C)NCC(=O)N2CC(C)OC(C)C2)sc1C
InChIInChI=1S/C16H27N3O2S/c1-10-8-19(9-11(2)21-10)14(20)7-17-16(5,6)15-18-12(3)13(4)22-15/h10-11,17H,7-9H2,1-6H3
InChIKeyPSBXOLJDDUDXES-UHFFFAOYSA-N
MW325.48 g/mol
LogP2.22
Rot. Bonds4

About 1-(2,6-dimethylmorpholin-4-yl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone

1-(2,6-dimethylmorpholin-4-yl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone (PubChem CID 71868850) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone
PubChem CID71868850
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone
SMILESCc1nc(C(C)(C)NCC(=O)N2CC(C)OC(C)C2)sc1C
InChIInChI=1S/C16H27N3O2S/c1-10-8-19(9-11(2)21-10)14(20)7-17-16(5,6)15-18-12(3)13(4)22-15/h10-11,17H,7-9H2,1-6H3
InChIKeyPSBXOLJDDUDXES-UHFFFAOYSA-N
XLogP2.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone (CID 71868850) is 1-(2,6-dimethylmorpholin-4-yl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone is Cc1nc(C(C)(C)NCC(=O)N2CC(C)OC(C)C2)sc1C.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone?
The InChIKey is PSBXOLJDDUDXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-10-8-19(9-11(2)21-10)14(20)7-17-16(5,6)15-18-12(3)13(4)22-15/h10-11,17H,7-9H2,1-6H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone has a molecular weight of 325.48 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone is sourced from PubChem (CID 71868850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).