ethyl 2-(1,3-thiazol-5-ylamino)acetate

C7H10N2O2S — CID 22134920

IUPACethyl 2-(1,3-thiazol-5-ylamino)acetate
SMILESCCOC(=O)CNc1cncs1
InChIInChI=1S/C7H10N2O2S/c1-2-11-7(10)4-9-6-3-8-5-12-6/h3,5,9H,2,4H2,1H3
InChIKeyTUMGAKONXGBVHX-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.12
Rot. Bonds4

About ethyl 2-(1,3-thiazol-5-ylamino)acetate

ethyl 2-(1,3-thiazol-5-ylamino)acetate (PubChem CID 22134920) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is ethyl 2-(1,3-thiazol-5-ylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1,3-thiazol-5-ylamino)acetate
PubChem CID22134920
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Nameethyl 2-(1,3-thiazol-5-ylamino)acetate
SMILESCCOC(=O)CNc1cncs1
InChIInChI=1S/C7H10N2O2S/c1-2-11-7(10)4-9-6-3-8-5-12-6/h3,5,9H,2,4H2,1H3
InChIKeyTUMGAKONXGBVHX-UHFFFAOYSA-N
XLogP1.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-amino-1,3-thiazole-2-carboxylate
CID 21955445
Ethyl 5-{[(tert-butoxy)carbonyl]amino}-1,3-thiazole-2-carboxylate
CID 46942156
2-(1,3-Thiazol-5-ylamino)acetic acid
CID 20354811
(2S)-2-(1,3-thiazol-5-ylamino)propanoic acid
CID 57008968
Ethyl 2-(1,3-thiazol-2-ylmethylamino)acetate
CID 61284249
Ethyl 2-[(5-amino-2-thiazolyl)thio]acetate
CID 66871749
Ethyl 3-[(5-amino-1,3-thiazol-2-yl)sulfanyl]propanoate
CID 66872086
2-(1,3-Thiazol-5-ylamino)propanoic acid
CID 67057413
Tert-butyl 5-[(2-ethoxy-2-oxoethyl)amino]-1,3-thiazole-2-carboxylate
CID 69953048
Methyl 5-aminothiazole-2-carboxylate
CID 72208278
Butyl 5-amino-1,3-thiazole-2-carboxylate
CID 73011162
5-Aminothiazole 2-mercaptoacetic acid ethyl ester
CID 86611194

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-thiazol-5-ylamino)acetate?
The IUPAC name of ethyl 2-(1,3-thiazol-5-ylamino)acetate (CID 22134920) is ethyl 2-(1,3-thiazol-5-ylamino)acetate.
What is the SMILES notation for ethyl 2-(1,3-thiazol-5-ylamino)acetate?
The canonical SMILES for ethyl 2-(1,3-thiazol-5-ylamino)acetate is CCOC(=O)CNc1cncs1.
What is the InChIKey of ethyl 2-(1,3-thiazol-5-ylamino)acetate?
The InChIKey is TUMGAKONXGBVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-11-7(10)4-9-6-3-8-5-12-6/h3,5,9H,2,4H2,1H3.
What are the key properties of ethyl 2-(1,3-thiazol-5-ylamino)acetate?
ethyl 2-(1,3-thiazol-5-ylamino)acetate has a molecular weight of 186.24 g/mol, XLogP of 1.12, 4 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-5-ylamino)acetate is sourced from PubChem (CID 22134920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).