2-(1,3-thiazol-5-yl)propanoic acid

C6H7NO2S — CID 57471701

IUPAC2-(1,3-thiazol-5-yl)propanoic acid
SMILESCC(C(=O)O)c1cncs1
InChIInChI=1S/C6H7NO2S/c1-4(6(8)9)5-2-7-3-10-5/h2-4H,1H3,(H,8,9)
InChIKeyLENAQYHSNFMWND-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.33
Rot. Bonds2

About 2-(1,3-thiazol-5-yl)propanoic acid

2-(1,3-thiazol-5-yl)propanoic acid (PubChem CID 57471701) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(1,3-thiazol-5-yl)propanoic acid
PubChem CID57471701
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name2-(1,3-thiazol-5-yl)propanoic acid
SMILESCC(C(=O)O)c1cncs1
InChIInChI=1S/C6H7NO2S/c1-4(6(8)9)5-2-7-3-10-5/h2-4H,1H3,(H,8,9)
InChIKeyLENAQYHSNFMWND-UHFFFAOYSA-N
XLogP1.33
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Methyl-1,3-thiazol-5-yl)acetic acid
CID 6852046
5-Thiazoleacetic acid
CID 349439
Methyl 2-(1,3-thiazol-5-yl)acetate
CID 28811855
Ethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate
CID 54136618
Methyl 2-(2-chloro-1,3-thiazol-5-yl)acetate
CID 71721406
2-Methyl-2-(1,3-thiazol-5-yl)propanoic acid
CID 165490479
1-(1,3-Thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 96739060
2-(2-Chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid
CID 154879069
Ethyl 2-(thiazol-5-yl)acetate
CID 20358489
Ethyl (2-propyl-1,3-thiazol-5-yl)acetate
CID 54320013
Ethyl [2-(methylsulfanyl)-1,3-thiazol-5-yl]acetate
CID 71426524
2,2-Difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid
CID 106784032

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-yl)propanoic acid?
The IUPAC name of 2-(1,3-thiazol-5-yl)propanoic acid (CID 57471701) is 2-(1,3-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(1,3-thiazol-5-yl)propanoic acid?
The canonical SMILES for 2-(1,3-thiazol-5-yl)propanoic acid is CC(C(=O)O)c1cncs1.
What is the InChIKey of 2-(1,3-thiazol-5-yl)propanoic acid?
The InChIKey is LENAQYHSNFMWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-4(6(8)9)5-2-7-3-10-5/h2-4H,1H3,(H,8,9).
What are the key properties of 2-(1,3-thiazol-5-yl)propanoic acid?
2-(1,3-thiazol-5-yl)propanoic acid has a molecular weight of 157.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 57471701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).