1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one

C12H19N3O2S — CID 23274915

IUPAC1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one
SMILESCNc1nc(C)c(C(=O)CCN2CCOCC2)s1
InChIInChI=1S/C12H19N3O2S/c1-9-11(18-12(13-2)14-9)10(16)3-4-15-5-7-17-8-6-15/h3-8H2,1-2H3,(H,13,14)
InChIKeyXYXDXLVSRXRFTB-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.40
Rot. Bonds5

About 1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one

1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 23274915) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one
PubChem CID23274915
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one
SMILESCNc1nc(C)c(C(=O)CCN2CCOCC2)s1
InChIInChI=1S/C12H19N3O2S/c1-9-11(18-12(13-2)14-9)10(16)3-4-15-5-7-17-8-6-15/h3-8H2,1-2H3,(H,13,14)
InChIKeyXYXDXLVSRXRFTB-UHFFFAOYSA-N
XLogP1.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one (CID 23274915) is 1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one is CNc1nc(C)c(C(=O)CCN2CCOCC2)s1.
What is the InChIKey of 1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one?
The InChIKey is XYXDXLVSRXRFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9-11(18-12(13-2)14-9)10(16)3-4-15-5-7-17-8-6-15/h3-8H2,1-2H3,(H,13,14).
What are the key properties of 1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one?
1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 269.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 23274915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).