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

C11H19N3O2S — CID 43756846

IUPACmethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]acetate
SMILESCCN(CC)c1ncc(CNCC(=O)OC)s1
InChIInChI=1S/C11H19N3O2S/c1-4-14(5-2)11-13-7-9(17-11)6-12-8-10(15)16-3/h7,12H,4-6,8H2,1-3H3
InChIKeySRQGXFAQICYWPW-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.25
Rot. Bonds7

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

methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]acetate (PubChem CID 43756846) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]acetate
PubChem CID43756846
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Namemethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]acetate
SMILESCCN(CC)c1ncc(CNCC(=O)OC)s1
InChIInChI=1S/C11H19N3O2S/c1-4-14(5-2)11-13-7-9(17-11)6-12-8-10(15)16-3/h7,12H,4-6,8H2,1-3H3
InChIKeySRQGXFAQICYWPW-UHFFFAOYSA-N
XLogP1.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.25
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]acetate?
The IUPAC name of methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]acetate (CID 43756846) is methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]acetate?
The canonical SMILES for methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]acetate is CCN(CC)c1ncc(CNCC(=O)OC)s1.
What is the InChIKey of methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]acetate?
The InChIKey is SRQGXFAQICYWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-14(5-2)11-13-7-9(17-11)6-12-8-10(15)16-3/h7,12H,4-6,8H2,1-3H3.
What are the key properties of methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]acetate?
methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]acetate has a molecular weight of 257.36 g/mol, XLogP of 1.25, 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]acetate is sourced from PubChem (CID 43756846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).