methyl 3-(3-oxo-1,2-thiazol-2-yl)propanoate;hydrochloride

C7H10ClNO3S — CID 13017444

IUPACmethyl 3-(3-oxo-1,2-thiazol-2-yl)propanoate;hydrochloride
SMILESCOC(=O)CCn1sccc1=O.Cl
InChIInChI=1S/C7H9NO3S.ClH/c1-11-7(10)2-4-8-6(9)3-5-12-8;/h3,5H,2,4H2,1H3;1H
InChIKeyBHPSZGCSRCLTLG-UHFFFAOYSA-N
MW223.68 g/mol
LogP0.89
Rot. Bonds3

About methyl 3-(3-oxo-1,2-thiazol-2-yl)propanoate;hydrochloride

methyl 3-(3-oxo-1,2-thiazol-2-yl)propanoate;hydrochloride (PubChem CID 13017444) has the molecular formula C7H10ClNO3S and a molecular weight of 223.68 g/mol. Its IUPAC name is methyl 3-(3-oxo-1,2-thiazol-2-yl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(3-oxo-1,2-thiazol-2-yl)propanoate;hydrochloride
PubChem CID13017444
Molecular FormulaC7H10ClNO3S
Molecular Weight223.68 g/mol
Exact Mass223.01
IUPAC Namemethyl 3-(3-oxo-1,2-thiazol-2-yl)propanoate;hydrochloride
SMILESCOC(=O)CCn1sccc1=O.Cl
InChIInChI=1S/C7H9NO3S.ClH/c1-11-7(10)2-4-8-6(9)3-5-12-8;/h3,5H,2,4H2,1H3;1H
InChIKeyBHPSZGCSRCLTLG-UHFFFAOYSA-N
XLogP0.89
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-oxo-1,2-thiazol-2-yl)propanoate;hydrochloride?
The IUPAC name of methyl 3-(3-oxo-1,2-thiazol-2-yl)propanoate;hydrochloride (CID 13017444) is methyl 3-(3-oxo-1,2-thiazol-2-yl)propanoate;hydrochloride.
What is the SMILES notation for methyl 3-(3-oxo-1,2-thiazol-2-yl)propanoate;hydrochloride?
The canonical SMILES for methyl 3-(3-oxo-1,2-thiazol-2-yl)propanoate;hydrochloride is COC(=O)CCn1sccc1=O.Cl.
What is the InChIKey of methyl 3-(3-oxo-1,2-thiazol-2-yl)propanoate;hydrochloride?
The InChIKey is BHPSZGCSRCLTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S.ClH/c1-11-7(10)2-4-8-6(9)3-5-12-8;/h3,5H,2,4H2,1H3;1H.
What are the key properties of methyl 3-(3-oxo-1,2-thiazol-2-yl)propanoate;hydrochloride?
methyl 3-(3-oxo-1,2-thiazol-2-yl)propanoate;hydrochloride has a molecular weight of 223.68 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-oxo-1,2-thiazol-2-yl)propanoate;hydrochloride is sourced from PubChem (CID 13017444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).