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

C13H23N3O2S — CID 61498161

IUPACethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1cnc(N(CC)CC)s1
InChIInChI=1S/C13H23N3O2S/c1-5-16(6-2)13-15-9-11(19-13)8-14-10(4)12(17)18-7-3/h9-10,14H,5-8H2,1-4H3
InChIKeyTZPQKUZAVWTLKG-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.03
Rot. Bonds8

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

ethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate (PubChem CID 61498161) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is ethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate
PubChem CID61498161
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Nameethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1cnc(N(CC)CC)s1
InChIInChI=1S/C13H23N3O2S/c1-5-16(6-2)13-15-9-11(19-13)8-14-10(4)12(17)18-7-3/h9-10,14H,5-8H2,1-4H3
InChIKeyTZPQKUZAVWTLKG-UHFFFAOYSA-N
XLogP2.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate?
The IUPAC name of ethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate (CID 61498161) is ethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate.
What is the SMILES notation for ethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate?
The canonical SMILES for ethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate is CCOC(=O)C(C)NCc1cnc(N(CC)CC)s1.
What is the InChIKey of ethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate?
The InChIKey is TZPQKUZAVWTLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-5-16(6-2)13-15-9-11(19-13)8-14-10(4)12(17)18-7-3/h9-10,14H,5-8H2,1-4H3.
What are the key properties of ethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate?
ethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate has a molecular weight of 285.41 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoate is sourced from PubChem (CID 61498161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).