methyl 3-(2-amino-1,3-thiazol-4-yl)propanoate

C7H10N2O2S — CID 780427

IUPACmethyl 3-(2-amino-1,3-thiazol-4-yl)propanoate
SMILESCOC(=O)CCc1csc(N)n1
InChIInChI=1S/C7H10N2O2S/c1-11-6(10)3-2-5-4-12-7(8)9-5/h4H,2-3H2,1H3,(H2,8,9)
InChIKeyJWDGXHZFNYKFGE-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.83
Rot. Bonds3

About methyl 3-(2-amino-1,3-thiazol-4-yl)propanoate

methyl 3-(2-amino-1,3-thiazol-4-yl)propanoate (PubChem CID 780427) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is methyl 3-(2-amino-1,3-thiazol-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-amino-1,3-thiazol-4-yl)propanoate
PubChem CID780427
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Namemethyl 3-(2-amino-1,3-thiazol-4-yl)propanoate
SMILESCOC(=O)CCc1csc(N)n1
InChIInChI=1S/C7H10N2O2S/c1-11-6(10)3-2-5-4-12-7(8)9-5/h4H,2-3H2,1H3,(H2,8,9)
InChIKeyJWDGXHZFNYKFGE-UHFFFAOYSA-N
XLogP0.83
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Thiazoleacetic acid, 2-amino-, ethyl ester
CID 104454
Methyl 2-(2-amino-1,3-thiazol-4-yl)acetate hydrochloride
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3-(2-Amino-1,3-thiazol-4-yl)propanoic acid
CID 227176
Methyl 2-(2-amino-1,3-thiazol-4-yl)acetate
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2-Methyl-3-(2-Aminothiazolo)Propanal
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Methyl 4-(2-amino-1,3-thiazol-4-yl)butanoate
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4-(2-Amino-1,3-thiazol-4-yl)butanoic acid
CID 21699743
2-Amino-3-(2-amino-1,3-thiazol-4-yl)propanoic acid dihydrochloride
CID 137943493
Ethyl 6-(2-amino-1,3-thiazol-4-yl)hexanoate hydrochloride
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3-(2-Amino-1,3-thiazol-4-yl)propanamide
CID 33679687
2-amino-3-(2-amino-1,3-thiazol-4-yl)propanoic Acid
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3-[2-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-amino-1,3-thiazol-4-yl)propanoate?
The IUPAC name of methyl 3-(2-amino-1,3-thiazol-4-yl)propanoate (CID 780427) is methyl 3-(2-amino-1,3-thiazol-4-yl)propanoate.
What is the SMILES notation for methyl 3-(2-amino-1,3-thiazol-4-yl)propanoate?
The canonical SMILES for methyl 3-(2-amino-1,3-thiazol-4-yl)propanoate is COC(=O)CCc1csc(N)n1.
What is the InChIKey of methyl 3-(2-amino-1,3-thiazol-4-yl)propanoate?
The InChIKey is JWDGXHZFNYKFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-11-6(10)3-2-5-4-12-7(8)9-5/h4H,2-3H2,1H3,(H2,8,9).
What are the key properties of methyl 3-(2-amino-1,3-thiazol-4-yl)propanoate?
methyl 3-(2-amino-1,3-thiazol-4-yl)propanoate has a molecular weight of 186.24 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-amino-1,3-thiazol-4-yl)propanoate is sourced from PubChem (CID 780427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).