3-(1,3-thiazol-5-yl)propanoic acid;hydrochloride

C6H8ClNO2S — CID 119032094

IUPAC3-(1,3-thiazol-5-yl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1cncs1
InChIInChI=1S/C6H7NO2S.ClH/c8-6(9)2-1-5-3-7-4-10-5;/h3-4H,1-2H2,(H,8,9);1H
InChIKeyRRVQWYBPJDHNKO-UHFFFAOYSA-N
MW193.65 g/mol
LogP1.58
Rot. Bonds3

About 3-(1,3-thiazol-5-yl)propanoic acid;hydrochloride

3-(1,3-thiazol-5-yl)propanoic acid;hydrochloride (PubChem CID 119032094) has the molecular formula C6H8ClNO2S and a molecular weight of 193.65 g/mol. Its IUPAC name is 3-(1,3-thiazol-5-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(1,3-thiazol-5-yl)propanoic acid;hydrochloride
PubChem CID119032094
Molecular FormulaC6H8ClNO2S
Molecular Weight193.65 g/mol
Exact Mass193.00
IUPAC Name3-(1,3-thiazol-5-yl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1cncs1
InChIInChI=1S/C6H7NO2S.ClH/c8-6(9)2-1-5-3-7-4-10-5;/h3-4H,1-2H2,(H,8,9);1H
InChIKeyRRVQWYBPJDHNKO-UHFFFAOYSA-N
XLogP1.58
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.65
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-Thiazol-5-yl)propan-1-ol
CID 17957431
3-(2-Methyl-1,3-thiazol-5-yl)propanoic acid
CID 20388953
2-Amino-3-(1,3-thiazol-5-yl)propanoic acid dihydrochloride
CID 126802024
3-(2-Chloro-1,3-thiazol-5-yl)-3-hydroxypropanoic acid
CID 130614894
rac-(1R,2R)-2-(2-chloro-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 165828618
3-(1,3-Thiazol-5-yl)-L-alanine
CID 54465048
2-Amino-3-(1,3-thiazol-5-yl)propanoic acid
CID 18352594
3-(Thiazol-5-yl)propanoic acid
CID 45121677
Trifluoromethyl 3-(1,3-thiazol-5-yl)propanoate
CID 174754472
3-Fluoro-3-(1,3-thiazol-5-yl)butanoic acid
CID 83817852
3-[2-(Fluoromethyl)-1,3-thiazol-5-yl]propanoic acid
CID 84771017
3-[2-(Fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid
CID 84777180

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-5-yl)propanoic acid;hydrochloride?
The IUPAC name of 3-(1,3-thiazol-5-yl)propanoic acid;hydrochloride (CID 119032094) is 3-(1,3-thiazol-5-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(1,3-thiazol-5-yl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(1,3-thiazol-5-yl)propanoic acid;hydrochloride is Cl.O=C(O)CCc1cncs1.
What is the InChIKey of 3-(1,3-thiazol-5-yl)propanoic acid;hydrochloride?
The InChIKey is RRVQWYBPJDHNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S.ClH/c8-6(9)2-1-5-3-7-4-10-5;/h3-4H,1-2H2,(H,8,9);1H.
What are the key properties of 3-(1,3-thiazol-5-yl)propanoic acid;hydrochloride?
3-(1,3-thiazol-5-yl)propanoic acid;hydrochloride has a molecular weight of 193.65 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-5-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 119032094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).