1-(2,6-dimethylmorpholin-4-yl)-2-[4-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone

C17H27N5O3S — CID 42876721

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[4-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
SMILESCNc1nc(C(=O)N2CCN(CC(=O)N3CC(C)OC(C)C3)CC2)cs1
InChIInChI=1S/C17H27N5O3S/c1-12-8-22(9-13(2)25-12)15(23)10-20-4-6-21(7-5-20)16(24)14-11-26-17(18-3)19-14/h11-13H,4-10H2,1-3H3,(H,18,19)
InChIKeyYAOXBYKJJWJSGS-UHFFFAOYSA-N
MW381.50 g/mol
LogP0.58
Rot. Bonds4

About 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone

1-(2,6-dimethylmorpholin-4-yl)-2-[4-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 42876721) has the molecular formula C17H27N5O3S and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID42876721
Molecular FormulaC17H27N5O3S
Molecular Weight381.50 g/mol
Exact Mass381.18
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
SMILESCNc1nc(C(=O)N2CCN(CC(=O)N3CC(C)OC(C)C3)CC2)cs1
InChIInChI=1S/C17H27N5O3S/c1-12-8-22(9-13(2)25-12)15(23)10-20-4-6-21(7-5-20)16(24)14-11-26-17(18-3)19-14/h11-13H,4-10H2,1-3H3,(H,18,19)
InChIKeyYAOXBYKJJWJSGS-UHFFFAOYSA-N
XLogP0.58
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 42876759
[2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82509879
1-(4-acetylpiperazin-1-yl)-2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42876899
[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 156603607
[2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 77097002
2-[4-[2-(benzylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 42876781
1-(2,6-dimethylmorpholin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 78782485
2-[4-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 46079059
N'-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 41105348
2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 62789109
[2-(methylamino)-1,3-thiazol-4-yl]-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70745608
2-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917312

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone (CID 42876721) is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone is CNc1nc(C(=O)N2CCN(CC(=O)N3CC(C)OC(C)C3)CC2)cs1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is YAOXBYKJJWJSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3S/c1-12-8-22(9-13(2)25-12)15(23)10-20-4-6-21(7-5-20)16(24)14-11-26-17(18-3)19-14/h11-13H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-[4-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 381.50 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 42876721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).