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

C12H21N3OS — CID 57340123

IUPAC3-(diethylamino)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]propan-1-one
SMILESCCN(CC)CCC(=O)c1sc(NC)nc1C
InChIInChI=1S/C12H21N3OS/c1-5-15(6-2)8-7-10(16)11-9(3)14-12(13-4)17-11/h5-8H2,1-4H3,(H,13,14)
InChIKeyAOGHJTIXMIROJG-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.41
Rot. Bonds7

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

3-(diethylamino)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]propan-1-one (PubChem CID 57340123) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-(diethylamino)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name3-(diethylamino)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]propan-1-one
PubChem CID57340123
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name3-(diethylamino)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]propan-1-one
SMILESCCN(CC)CCC(=O)c1sc(NC)nc1C
InChIInChI=1S/C12H21N3OS/c1-5-15(6-2)8-7-10(16)11-9(3)14-12(13-4)17-11/h5-8H2,1-4H3,(H,13,14)
InChIKeyAOGHJTIXMIROJG-UHFFFAOYSA-N
XLogP2.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 3-(diethylamino)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]propan-1-one (CID 57340123) is 3-(diethylamino)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 3-(diethylamino)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 3-(diethylamino)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]propan-1-one is CCN(CC)CCC(=O)c1sc(NC)nc1C.
What is the InChIKey of 3-(diethylamino)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is AOGHJTIXMIROJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-5-15(6-2)8-7-10(16)11-9(3)14-12(13-4)17-11/h5-8H2,1-4H3,(H,13,14).
What are the key properties of 3-(diethylamino)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]propan-1-one?
3-(diethylamino)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 255.39 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 57340123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).