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

C8H11ClN2O2S — CID 83156794

IUPACmethyl 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)c1nc(Cl)cs1
InChIInChI=1S/C8H11ClN2O2S/c1-3-11(4-7(12)13-2)8-10-6(9)5-14-8/h5H,3-4H2,1-2H3
InChIKeyYVUAIMRRGQFFAC-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.80
Rot. Bonds4

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

methyl 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetate (PubChem CID 83156794) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is methyl 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetate
PubChem CID83156794
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Namemethyl 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)c1nc(Cl)cs1
InChIInChI=1S/C8H11ClN2O2S/c1-3-11(4-7(12)13-2)8-10-6(9)5-14-8/h5H,3-4H2,1-2H3
InChIKeyYVUAIMRRGQFFAC-UHFFFAOYSA-N
XLogP1.80
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetate with MolForge

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

Launch Full Analysis

Related Compounds

2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetamide
CID 103103685
methyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate
CID 62006139
2-[(4-chloro-1,3-thiazol-2-yl)-methylamino]-N-methylacetamide
CID 83155588
methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate
CID 80575671
4-chloro-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine
CID 83157054
methyl 2-[2-[bis(cyanomethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575367
methyl 2-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetate
CID 62013509
4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine
CID 83156097
methyl 2-[2-[2-cyanopropyl(ethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575733
4-chloro-N,N-dimethyl-1,3-thiazol-2-amine
CID 68840678
methyl 2-[(3-chloro-4-methylthiophene-2-carbonyl)-ethylamino]acetate
CID 103403990
2-[(4-bromo-1,3-thiazol-2-yl)-ethylamino]-N,N-dimethylacetamide
CID 79400515

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetate?
The IUPAC name of methyl 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetate (CID 83156794) is methyl 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetate.
What is the SMILES notation for methyl 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetate?
The canonical SMILES for methyl 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetate is CCN(CC(=O)OC)c1nc(Cl)cs1.
What is the InChIKey of methyl 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetate?
The InChIKey is YVUAIMRRGQFFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c1-3-11(4-7(12)13-2)8-10-6(9)5-14-8/h5H,3-4H2,1-2H3.
What are the key properties of methyl 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetate?
methyl 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetate has a molecular weight of 234.71 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetate is sourced from PubChem (CID 83156794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).