[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone

C17H22N4O2S — CID 125009167

IUPAC[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
SMILESCN(C)c1cc(CC[C@@H]2CN(C(=O)c3cncs3)CCO2)ccn1
InChIInChI=1S/C17H22N4O2S/c1-20(2)16-9-13(5-6-19-16)3-4-14-11-21(7-8-23-14)17(22)15-10-18-12-24-15/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3/t14-/m1/s1
InChIKeyVAKRUBBEGYBGQV-CQSZACIVSA-N
MW346.46 g/mol
LogP2.08
Rot. Bonds5

About [(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone

[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 125009167) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is [(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID125009167
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
SMILESCN(C)c1cc(CC[C@@H]2CN(C(=O)c3cncs3)CCO2)ccn1
InChIInChI=1S/C17H22N4O2S/c1-20(2)16-9-13(5-6-19-16)3-4-14-11-21(7-8-23-14)17(22)15-10-18-12-24-15/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3/t14-/m1/s1
InChIKeyVAKRUBBEGYBGQV-CQSZACIVSA-N
XLogP2.08
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone with MolForge

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Related Compounds

[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone
CID 124950403
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 125000357
[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 110114065
[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 110114030
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 125027294
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 125002202
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(2-fluorophenyl)methanone
CID 124954150
2-cyclopropyl-1-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]ethanone
CID 124970546
4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid
CID 124992467
1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 110114059
1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 110119302
N,N-dimethyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine
CID 110114051

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone (CID 125009167) is [(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone is CN(C)c1cc(CC[C@@H]2CN(C(=O)c3cncs3)CCO2)ccn1.
What is the InChIKey of [(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is VAKRUBBEGYBGQV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-20(2)16-9-13(5-6-19-16)3-4-14-11-21(7-8-23-14)17(22)15-10-18-12-24-15/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3/t14-/m1/s1.
What are the key properties of [(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone?
[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 346.46 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 125009167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).