methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate

C12H21N3O2S — CID 60782012

IUPACmethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate
SMILESCCN(CC)c1ncc(CNC(C)C(=O)OC)s1
InChIInChI=1S/C12H21N3O2S/c1-5-15(6-2)12-14-8-10(18-12)7-13-9(3)11(16)17-4/h8-9,13H,5-7H2,1-4H3
InChIKeySDRYRJITMGPRPU-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.64
Rot. Bonds7

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

methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate (PubChem CID 60782012) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate
PubChem CID60782012
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Namemethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate
SMILESCCN(CC)c1ncc(CNC(C)C(=O)OC)s1
InChIInChI=1S/C12H21N3O2S/c1-5-15(6-2)12-14-8-10(18-12)7-13-9(3)11(16)17-4/h8-9,13H,5-7H2,1-4H3
InChIKeySDRYRJITMGPRPU-UHFFFAOYSA-N
XLogP1.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate?
The IUPAC name of methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate (CID 60782012) is methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate.
What is the SMILES notation for methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate?
The canonical SMILES for methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate is CCN(CC)c1ncc(CNC(C)C(=O)OC)s1.
What is the InChIKey of methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate?
The InChIKey is SDRYRJITMGPRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-5-15(6-2)12-14-8-10(18-12)7-13-9(3)11(16)17-4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate?
methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate has a molecular weight of 271.39 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate is sourced from PubChem (CID 60782012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).