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

C13H23N3O2S — CID 43787136

IUPACmethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropanoate
SMILESCCN(CC)c1ncc(CNC(C)(C)C(=O)OC)s1
InChIInChI=1S/C13H23N3O2S/c1-6-16(7-2)12-14-8-10(19-12)9-15-13(3,4)11(17)18-5/h8,15H,6-7,9H2,1-5H3
InChIKeyGPWOAYXHBLTYFP-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.03
Rot. Bonds7

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

methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropanoate (PubChem CID 43787136) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropanoate
PubChem CID43787136
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Namemethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropanoate
SMILESCCN(CC)c1ncc(CNC(C)(C)C(=O)OC)s1
InChIInChI=1S/C13H23N3O2S/c1-6-16(7-2)12-14-8-10(19-12)9-15-13(3,4)11(17)18-5/h8,15H,6-7,9H2,1-5H3
InChIKeyGPWOAYXHBLTYFP-UHFFFAOYSA-N
XLogP2.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
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 methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropanoate (CID 43787136) is methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropanoate is CCN(CC)c1ncc(CNC(C)(C)C(=O)OC)s1.
What is the InChIKey of methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropanoate?
The InChIKey is GPWOAYXHBLTYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-6-16(7-2)12-14-8-10(19-12)9-15-13(3,4)11(17)18-5/h8,15H,6-7,9H2,1-5H3.
What are the key properties of methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropanoate?
methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropanoate has a molecular weight of 285.41 g/mol, XLogP of 2.03, 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]-2-methylpropanoate is sourced from PubChem (CID 43787136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).