ethyl 2-(1,3-thiazol-2-ylmethylamino)acetate

C8H12N2O2S — CID 61284249

IUPACethyl 2-(1,3-thiazol-2-ylmethylamino)acetate
SMILESCCOC(=O)CNCc1nccs1
InChIInChI=1S/C8H12N2O2S/c1-2-12-8(11)6-9-5-7-10-3-4-13-7/h3-4,9H,2,5-6H2,1H3
InChIKeyDQNBFNIHNZBBDY-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.80
Rot. Bonds5

About ethyl 2-(1,3-thiazol-2-ylmethylamino)acetate

ethyl 2-(1,3-thiazol-2-ylmethylamino)acetate (PubChem CID 61284249) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is ethyl 2-(1,3-thiazol-2-ylmethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1,3-thiazol-2-ylmethylamino)acetate
PubChem CID61284249
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Nameethyl 2-(1,3-thiazol-2-ylmethylamino)acetate
SMILESCCOC(=O)CNCc1nccs1
InChIInChI=1S/C8H12N2O2S/c1-2-12-8(11)6-9-5-7-10-3-4-13-7/h3-4,9H,2,5-6H2,1H3
InChIKeyDQNBFNIHNZBBDY-UHFFFAOYSA-N
XLogP0.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl thiazole-2-carboxylate
CID 7567660
Ethyl 5-amino-1,3-thiazole-2-carboxylate
CID 21955445
Methyl 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetate
CID 71868948
Ethyl 1,3-thiazole-2-carboxylate
CID 13032471
Ethyl 2-amino-2-(1,3-thiazol-2-yl)acetate
CID 53765876
4-Fluoropentyl 1,3-thiazole-2-carboxylate
CID 138725559
[(4R)-4-fluoropentyl] 1,3-thiazole-2-carboxylate
CID 138725766
1,3-Thiazol-2-ylmethyl acetate
CID 15111491
N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490393
Ethyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoate
CID 64990464
2-(2,2-difluoroethoxy)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 103081271
Methyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
CID 104077425

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-thiazol-2-ylmethylamino)acetate?
The IUPAC name of ethyl 2-(1,3-thiazol-2-ylmethylamino)acetate (CID 61284249) is ethyl 2-(1,3-thiazol-2-ylmethylamino)acetate.
What is the SMILES notation for ethyl 2-(1,3-thiazol-2-ylmethylamino)acetate?
The canonical SMILES for ethyl 2-(1,3-thiazol-2-ylmethylamino)acetate is CCOC(=O)CNCc1nccs1.
What is the InChIKey of ethyl 2-(1,3-thiazol-2-ylmethylamino)acetate?
The InChIKey is DQNBFNIHNZBBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-12-8(11)6-9-5-7-10-3-4-13-7/h3-4,9H,2,5-6H2,1H3.
What are the key properties of ethyl 2-(1,3-thiazol-2-ylmethylamino)acetate?
ethyl 2-(1,3-thiazol-2-ylmethylamino)acetate has a molecular weight of 200.26 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-thiazol-2-ylmethylamino)acetate is sourced from PubChem (CID 61284249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).