methyl 2-(2-amino-1,3-thiazol-4-yl)acetate;hydrochloride

C6H9ClN2O2S — CID 6602854

IUPACmethyl 2-(2-amino-1,3-thiazol-4-yl)acetate;hydrochloride
SMILESCOC(=O)Cc1csc(N)n1.Cl
InChIInChI=1S/C6H8N2O2S.ClH/c1-10-5(9)2-4-3-11-6(7)8-4;/h3H,2H2,1H3,(H2,7,8);1H
InChIKeyDCLJYTHCPIQKNR-UHFFFAOYSA-N
MW208.67 g/mol
LogP0.86
Rot. Bonds2

About methyl 2-(2-amino-1,3-thiazol-4-yl)acetate;hydrochloride

methyl 2-(2-amino-1,3-thiazol-4-yl)acetate;hydrochloride (PubChem CID 6602854) has the molecular formula C6H9ClN2O2S and a molecular weight of 208.67 g/mol. Its IUPAC name is methyl 2-(2-amino-1,3-thiazol-4-yl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(2-amino-1,3-thiazol-4-yl)acetate;hydrochloride
PubChem CID6602854
Molecular FormulaC6H9ClN2O2S
Molecular Weight208.67 g/mol
Exact Mass208.01
IUPAC Namemethyl 2-(2-amino-1,3-thiazol-4-yl)acetate;hydrochloride
SMILESCOC(=O)Cc1csc(N)n1.Cl
InChIInChI=1S/C6H8N2O2S.ClH/c1-10-5(9)2-4-3-11-6(7)8-4;/h3H,2H2,1H3,(H2,7,8);1H
InChIKeyDCLJYTHCPIQKNR-UHFFFAOYSA-N
XLogP0.86
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.67
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Amino-1,3-thiazol-4-yl)acetic acid
CID 34665
(alphaZ)-2-Amino-alpha-(methoxyimino)-4-thiazoleacetic acid
CID 5486924
4-Thiazoleacetic acid, 2-amino-, ethyl ester
CID 104454
2-(2-Methanesulfonamido-1,3-thiazol-4-yl)acetic acid
CID 3159575
Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate
CID 470180
Ethyl (alphaZ)-2-amino-alpha-(methoxyimino)-4-thiazoleacetate
CID 5582977
Ethyl [2-(butanoylamino)-1,3-thiazol-4-yl]acetate
CID 2253148
Methyl 2-(2-amino-1,3-thiazol-4-yl)acetate
CID 738059
Methyl 3-(2-amino-1,3-thiazol-4-yl)propanoate
CID 780427
Ethyl 2-(2-Amino-4-thiazolyl)-2-oxoacetate
CID 4356513
Ethyl 2-amino-alpha-(hydroxyimino)thiazol-4-acetate
CID 6401018
(Z)-Ethyl 2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetate
CID 6401017

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-1,3-thiazol-4-yl)acetate;hydrochloride?
The IUPAC name of methyl 2-(2-amino-1,3-thiazol-4-yl)acetate;hydrochloride (CID 6602854) is methyl 2-(2-amino-1,3-thiazol-4-yl)acetate;hydrochloride.
What is the SMILES notation for methyl 2-(2-amino-1,3-thiazol-4-yl)acetate;hydrochloride?
The canonical SMILES for methyl 2-(2-amino-1,3-thiazol-4-yl)acetate;hydrochloride is COC(=O)Cc1csc(N)n1.Cl.
What is the InChIKey of methyl 2-(2-amino-1,3-thiazol-4-yl)acetate;hydrochloride?
The InChIKey is DCLJYTHCPIQKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S.ClH/c1-10-5(9)2-4-3-11-6(7)8-4;/h3H,2H2,1H3,(H2,7,8);1H.
What are the key properties of methyl 2-(2-amino-1,3-thiazol-4-yl)acetate;hydrochloride?
methyl 2-(2-amino-1,3-thiazol-4-yl)acetate;hydrochloride has a molecular weight of 208.67 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-1,3-thiazol-4-yl)acetate;hydrochloride is sourced from PubChem (CID 6602854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).