methyl 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]acetate

C8H12N2O2S — CID 115021994

IUPACmethyl 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]acetate
SMILESCOC(=O)Cc1nc(C(C)N)cs1
InChIInChI=1S/C8H12N2O2S/c1-5(9)6-4-13-7(10-6)3-8(11)12-2/h4-5H,3,9H2,1-2H3
InChIKeyUWXRQZMIZKRGQU-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.88
Rot. Bonds3

About methyl 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]acetate

methyl 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]acetate (PubChem CID 115021994) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is methyl 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]acetate
PubChem CID115021994
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Namemethyl 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]acetate
SMILESCOC(=O)Cc1nc(C(C)N)cs1
InChIInChI=1S/C8H12N2O2S/c1-5(9)6-4-13-7(10-6)3-8(11)12-2/h4-5H,3,9H2,1-2H3
InChIKeyUWXRQZMIZKRGQU-UHFFFAOYSA-N
XLogP0.88
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]acetate?
The IUPAC name of methyl 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]acetate (CID 115021994) is methyl 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]acetate is COC(=O)Cc1nc(C(C)N)cs1.
What is the InChIKey of methyl 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]acetate?
The InChIKey is UWXRQZMIZKRGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5(9)6-4-13-7(10-6)3-8(11)12-2/h4-5H,3,9H2,1-2H3.
What are the key properties of methyl 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]acetate?
methyl 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]acetate has a molecular weight of 200.26 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]acetate is sourced from PubChem (CID 115021994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).