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

C6H9ClN2O2S — CID 87957803

IUPAC(2-amino-1,3-thiazol-4-yl) propanoate;hydrochloride
SMILESCCC(=O)Oc1csc(N)n1.Cl
InChIInChI=1S/C6H8N2O2S.ClH/c1-2-5(9)10-4-3-11-6(7)8-4;/h3H,2H2,1H3,(H2,7,8);1H
InChIKeyYRLMXSKOMBNXGG-UHFFFAOYSA-N
MW208.67 g/mol
LogP1.46
Rot. Bonds2

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

(2-amino-1,3-thiazol-4-yl) propanoate;hydrochloride (PubChem CID 87957803) has the molecular formula C6H9ClN2O2S and a molecular weight of 208.67 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl) propanoate;hydrochloride.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl) propanoate;hydrochloride
PubChem CID87957803
Molecular FormulaC6H9ClN2O2S
Molecular Weight208.67 g/mol
Exact Mass208.01
IUPAC Name(2-amino-1,3-thiazol-4-yl) propanoate;hydrochloride
SMILESCCC(=O)Oc1csc(N)n1.Cl
InChIInChI=1S/C6H8N2O2S.ClH/c1-2-5(9)10-4-3-11-6(7)8-4;/h3H,2H2,1H3,(H2,7,8);1H
InChIKeyYRLMXSKOMBNXGG-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(2-amino-1,3-thiazol-4-yl) (2Z)-2-hydroxyiminoacetate
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[2-(benzylamino)-1,3-thiazol-4-yl] propanoate
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(2-amino-1,3-thiazol-4-yl) 2-(2-methylpropoxyimino)acetate
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[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl] propanoate
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acetic acid;tris(4-ethyl-1,3-thiazol-2-amine)
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[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-ethoxy-2-oxoethylidene]amino] propanoate
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propyl 2-amino-1,3-thiazole-4-carboxylate
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1-(2-amino-1,3-thiazol-4-yl)butan-1-one
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ethyl 2-amino-1,3-thiazole-4-carboxylate;ethyl 2-bromo-1,3-thiazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl) propanoate;hydrochloride?
The IUPAC name of (2-amino-1,3-thiazol-4-yl) propanoate;hydrochloride (CID 87957803) is (2-amino-1,3-thiazol-4-yl) propanoate;hydrochloride.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl) propanoate;hydrochloride?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl) propanoate;hydrochloride is CCC(=O)Oc1csc(N)n1.Cl.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl) propanoate;hydrochloride?
The InChIKey is YRLMXSKOMBNXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S.ClH/c1-2-5(9)10-4-3-11-6(7)8-4;/h3H,2H2,1H3,(H2,7,8);1H.
What are the key properties of (2-amino-1,3-thiazol-4-yl) propanoate;hydrochloride?
(2-amino-1,3-thiazol-4-yl) propanoate;hydrochloride has a molecular weight of 208.67 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl) propanoate;hydrochloride is sourced from PubChem (CID 87957803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).