[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

C16H20N4O2S — CID 124995524

IUPAC[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1cc([C@@H]2CN(C(=O)c3sc(C)nc3C)CCO2)nc(C)n1
InChIInChI=1S/C16H20N4O2S/c1-9-7-13(19-11(3)17-9)14-8-20(5-6-22-14)16(21)15-10(2)18-12(4)23-15/h7,14H,5-6,8H2,1-4H3/t14-/m0/s1
InChIKeyQMUMZDMKEAXSAB-AWEZNQCLSA-N
MW332.43 g/mol
LogP2.38
Rot. Bonds2

About [(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (PubChem CID 124995524) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is [(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
PubChem CID124995524
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1cc([C@@H]2CN(C(=O)c3sc(C)nc3C)CCO2)nc(C)n1
InChIInChI=1S/C16H20N4O2S/c1-9-7-13(19-11(3)17-9)14-8-20(5-6-22-14)16(21)15-10(2)18-12(4)23-15/h7,14H,5-6,8H2,1-4H3/t14-/m0/s1
InChIKeyQMUMZDMKEAXSAB-AWEZNQCLSA-N
XLogP2.38
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 127251619
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 96511624
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]methanone
CID 127251620
[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-pyridazin-4-ylmethanone
CID 110115924
[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-pyridazin-3-ylmethanone
CID 124967851
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208761
[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124948273
(5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124969938
2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 110115994
[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124987078
2-[(2S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 124515375
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 124965418

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (CID 124995524) is [(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is Cc1cc([C@@H]2CN(C(=O)c3sc(C)nc3C)CCO2)nc(C)n1.
What is the InChIKey of [(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The InChIKey is QMUMZDMKEAXSAB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-9-7-13(19-11(3)17-9)14-8-20(5-6-22-14)16(21)15-10(2)18-12(4)23-15/h7,14H,5-6,8H2,1-4H3/t14-/m0/s1.
What are the key properties of [(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone has a molecular weight of 332.43 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 124995524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).