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

C8H12N2O2S — CID 60941422

IUPACmethyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetate
SMILESCOC(=O)CNCc1cnc(C)s1
InChIInChI=1S/C8H12N2O2S/c1-6-10-4-7(13-6)3-9-5-8(11)12-2/h4,9H,3,5H2,1-2H3
InChIKeyFBCWLBCQQYRPPQ-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.71
Rot. Bonds4

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

methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetate (PubChem CID 60941422) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetate
PubChem CID60941422
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Namemethyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetate
SMILESCOC(=O)CNCc1cnc(C)s1
InChIInChI=1S/C8H12N2O2S/c1-6-10-4-7(13-6)3-9-5-8(11)12-2/h4,9H,3,5H2,1-2H3
InChIKeyFBCWLBCQQYRPPQ-UHFFFAOYSA-N
XLogP0.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetate?
The IUPAC name of methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetate (CID 60941422) is methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetate?
The canonical SMILES for methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetate is COC(=O)CNCc1cnc(C)s1.
What is the InChIKey of methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetate?
The InChIKey is FBCWLBCQQYRPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6-10-4-7(13-6)3-9-5-8(11)12-2/h4,9H,3,5H2,1-2H3.
What are the key properties of methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetate?
methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetate has a molecular weight of 200.26 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetate is sourced from PubChem (CID 60941422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).