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

C13H21N3O2S — CID 10016694

IUPAC1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one
SMILESCCNc1nc(C)c(C(=O)CCN2CCOCC2)s1
InChIInChI=1S/C13H21N3O2S/c1-3-14-13-15-10(2)12(19-13)11(17)4-5-16-6-8-18-9-7-16/h3-9H2,1-2H3,(H,14,15)
InChIKeyCKKLEENTITZMJZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.79
Rot. Bonds6

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

1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 10016694) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one
PubChem CID10016694
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one
SMILESCCNc1nc(C)c(C(=O)CCN2CCOCC2)s1
InChIInChI=1S/C13H21N3O2S/c1-3-14-13-15-10(2)12(19-13)11(17)4-5-16-6-8-18-9-7-16/h3-9H2,1-2H3,(H,14,15)
InChIKeyCKKLEENTITZMJZ-UHFFFAOYSA-N
XLogP1.79
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one (CID 10016694) is 1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one is CCNc1nc(C)c(C(=O)CCN2CCOCC2)s1.
What is the InChIKey of 1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one?
The InChIKey is CKKLEENTITZMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-14-13-15-10(2)12(19-13)11(17)4-5-16-6-8-18-9-7-16/h3-9H2,1-2H3,(H,14,15).
What are the key properties of 1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one?
1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 283.40 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 10016694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).