2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone

C16H20N4O2S — CID 110115520

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
SMILESCc1ccnc(C2CN(C(=O)Cc3sc(C)nc3C)CCO2)n1
InChIInChI=1S/C16H20N4O2S/c1-10-4-5-17-16(18-10)13-9-20(6-7-22-13)15(21)8-14-11(2)19-12(3)23-14/h4-5,13H,6-9H2,1-3H3
InChIKeyPLDBTJXYAIPXKE-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.00
Rot. Bonds3

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

2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone (PubChem CID 110115520) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
PubChem CID110115520
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
SMILESCc1ccnc(C2CN(C(=O)Cc3sc(C)nc3C)CCO2)n1
InChIInChI=1S/C16H20N4O2S/c1-10-4-5-17-16(18-10)13-9-20(6-7-22-13)15(21)8-14-11(2)19-12(3)23-14/h4-5,13H,6-9H2,1-3H3
InChIKeyPLDBTJXYAIPXKE-UHFFFAOYSA-N
XLogP2.00
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 125000690
1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124944644
1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110115499
1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124975891
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone
CID 125005930
3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one
CID 125009198
2-(2-fluorophenoxy)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 110115486
4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one
CID 124974362
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 127781327
3-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one
CID 125007577
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]ethanone
CID 74243081
[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-quinolin-3-ylmethanone
CID 124959536

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone (CID 110115520) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone is Cc1ccnc(C2CN(C(=O)Cc3sc(C)nc3C)CCO2)n1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone?
The InChIKey is PLDBTJXYAIPXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10-4-5-17-16(18-10)13-9-20(6-7-22-13)15(21)8-14-11(2)19-12(3)23-14/h4-5,13H,6-9H2,1-3H3.
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone has a molecular weight of 332.43 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 110115520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).