2-(1,3-thiazol-4-ylsulfanyl)acetic acid

C5H5NO2S2 — CID 90934592

IUPAC2-(1,3-thiazol-4-ylsulfanyl)acetic acid
SMILESO=C(O)CSc1cscn1
InChIInChI=1S/C5H5NO2S2/c7-5(8)2-10-4-1-9-3-6-4/h1,3H,2H2,(H,7,8)
InChIKeyVHZJIAMQMATXEB-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.32
Rot. Bonds3

About 2-(1,3-thiazol-4-ylsulfanyl)acetic acid

2-(1,3-thiazol-4-ylsulfanyl)acetic acid (PubChem CID 90934592) has the molecular formula C5H5NO2S2 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(1,3-thiazol-4-ylsulfanyl)acetic acid.

Molecular Properties

Compound Name2-(1,3-thiazol-4-ylsulfanyl)acetic acid
PubChem CID90934592
Molecular FormulaC5H5NO2S2
Molecular Weight175.23 g/mol
Exact Mass174.98
IUPAC Name2-(1,3-thiazol-4-ylsulfanyl)acetic acid
SMILESO=C(O)CSc1cscn1
InChIInChI=1S/C5H5NO2S2/c7-5(8)2-10-4-1-9-3-6-4/h1,3H,2H2,(H,7,8)
InChIKeyVHZJIAMQMATXEB-UHFFFAOYSA-N
XLogP1.32
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-4-ylsulfanyl)acetic acid?
The IUPAC name of 2-(1,3-thiazol-4-ylsulfanyl)acetic acid (CID 90934592) is 2-(1,3-thiazol-4-ylsulfanyl)acetic acid.
What is the SMILES notation for 2-(1,3-thiazol-4-ylsulfanyl)acetic acid?
The canonical SMILES for 2-(1,3-thiazol-4-ylsulfanyl)acetic acid is O=C(O)CSc1cscn1.
What is the InChIKey of 2-(1,3-thiazol-4-ylsulfanyl)acetic acid?
The InChIKey is VHZJIAMQMATXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S2/c7-5(8)2-10-4-1-9-3-6-4/h1,3H,2H2,(H,7,8).
What are the key properties of 2-(1,3-thiazol-4-ylsulfanyl)acetic acid?
2-(1,3-thiazol-4-ylsulfanyl)acetic acid has a molecular weight of 175.23 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-4-ylsulfanyl)acetic acid is sourced from PubChem (CID 90934592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).