1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C17H22N4O2S — CID 124990126

IUPAC1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCNc1cc(C)nc([C@@H]2CN(C(=O)Cc3csc(C)n3)CCO2)c1
InChIInChI=1S/C17H22N4O2S/c1-11-6-13(18-3)7-15(19-11)16-9-21(4-5-23-16)17(22)8-14-10-24-12(2)20-14/h6-7,10,16H,4-5,8-9H2,1-3H3,(H,18,19)/t16-/m0/s1
InChIKeyOZKNKJLMUGUDRF-INIZCTEOSA-N
MW346.46 g/mol
LogP2.34
Rot. Bonds4

About 1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 124990126) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID124990126
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCNc1cc(C)nc([C@@H]2CN(C(=O)Cc3csc(C)n3)CCO2)c1
InChIInChI=1S/C17H22N4O2S/c1-11-6-13(18-3)7-15(19-11)16-9-21(4-5-23-16)17(22)8-14-10-24-12(2)20-14/h6-7,10,16H,4-5,8-9H2,1-3H3,(H,18,19)/t16-/m0/s1
InChIKeyOZKNKJLMUGUDRF-INIZCTEOSA-N
XLogP2.34
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 110112560
1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 124955633
N-(2-hydroxyethyl)-2-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide
CID 110252018
N-(2-hydroxyethyl)-2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92638200
1,3-dimethyl-7-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 127251710
3-(3-fluorophenyl)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124960389
(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-phenylmorpholine-2-carboxamide
CID 92633198
(E)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 124951344
2H-benzotriazol-5-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 155901308
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone
CID 92632934
(2R)-N-cyclopentyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholine-2-carboxamide
CID 92633297
(2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 125015560

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 124990126) is 1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is CNc1cc(C)nc([C@@H]2CN(C(=O)Cc3csc(C)n3)CCO2)c1.
What is the InChIKey of 1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is OZKNKJLMUGUDRF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-11-6-13(18-3)7-15(19-11)16-9-21(4-5-23-16)17(22)8-14-10-24-12(2)20-14/h6-7,10,16H,4-5,8-9H2,1-3H3,(H,18,19)/t16-/m0/s1.
What are the key properties of 1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 346.46 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 124990126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).