[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone

C13H14N4O2S — CID 124977291

IUPAC[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
SMILESCc1nccc([C@@H]2CN(C(=O)c3cncs3)CCO2)n1
InChIInChI=1S/C13H14N4O2S/c1-9-15-3-2-10(16-9)11-7-17(4-5-19-11)13(18)12-6-14-8-20-12/h2-3,6,8,11H,4-5,7H2,1H3/t11-/m0/s1
InChIKeyLLEKCAGYUQDUSD-NSHDSACASA-N
MW290.35 g/mol
LogP1.46
Rot. Bonds2

About [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone

[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 124977291) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID124977291
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
SMILESCc1nccc([C@@H]2CN(C(=O)c3cncs3)CCO2)n1
InChIInChI=1S/C13H14N4O2S/c1-9-15-3-2-10(16-9)11-7-17(4-5-19-11)13(18)12-6-14-8-20-12/h2-3,6,8,11H,4-5,7H2,1H3/t11-/m0/s1
InChIKeyLLEKCAGYUQDUSD-NSHDSACASA-N
XLogP1.46
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone with MolForge

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Related Compounds

[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 95828534
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95845102
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956680
[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 124971089
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 125024334
[(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 95847898
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 125022865
[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 125022866
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 124993182
(3-methyl-2-pyridinyl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956752
[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 125021403
(1-methylindol-3-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 110115890

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone (CID 124977291) is [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone is Cc1nccc([C@@H]2CN(C(=O)c3cncs3)CCO2)n1.
What is the InChIKey of [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is LLEKCAGYUQDUSD-NSHDSACASA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-9-15-3-2-10(16-9)11-7-17(4-5-19-11)13(18)12-6-14-8-20-12/h2-3,6,8,11H,4-5,7H2,1H3/t11-/m0/s1.
What are the key properties of [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone?
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 290.35 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 124977291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).