2-(4-sulfanyl-1,3-thiazol-2-yl)acetic acid

C5H5NO2S2 — CID 15219849

IUPAC2-(4-sulfanyl-1,3-thiazol-2-yl)acetic acid
SMILESO=C(O)Cc1nc(S)cs1
InChIInChI=1S/C5H5NO2S2/c7-5(8)1-4-6-3(9)2-10-4/h2,9H,1H2,(H,7,8)
InChIKeyAKWYSNBVISUDEC-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.06
Rot. Bonds2

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

2-(4-sulfanyl-1,3-thiazol-2-yl)acetic acid (PubChem CID 15219849) has the molecular formula C5H5NO2S2 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(4-sulfanyl-1,3-thiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-sulfanyl-1,3-thiazol-2-yl)acetic acid
PubChem CID15219849
Molecular FormulaC5H5NO2S2
Molecular Weight175.23 g/mol
Exact Mass174.98
IUPAC Name2-(4-sulfanyl-1,3-thiazol-2-yl)acetic acid
SMILESO=C(O)Cc1nc(S)cs1
InChIInChI=1S/C5H5NO2S2/c7-5(8)1-4-6-3(9)2-10-4/h2,9H,1H2,(H,7,8)
InChIKeyAKWYSNBVISUDEC-UHFFFAOYSA-N
XLogP1.06
TPSA50.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-(Sulfanylmethyl)-1,3-thiazol-2-yl]acetic acid
CID 22406098
2-(4-Methylsulfonyl-1,3-thiazol-2-yl)acetic acid
CID 67128442
2-(4-Hydroxy-1,3-thiazol-2-yl)acetic acid
CID 69378720
2-(4-Chloro-1,3-thiazol-2-yl)acetic acid
CID 72208193
2-Sulfanyl-2-(1,3-thiazol-2-yl)acetic acid
CID 87383007
2-(4-Methylsulfanyl-1,3-thiazol-2-yl)acetic acid
CID 141307632
2-(4-Bromothiazol-2-yl)acetic acid
CID 130139520

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfanyl-1,3-thiazol-2-yl)acetic acid?
The IUPAC name of 2-(4-sulfanyl-1,3-thiazol-2-yl)acetic acid (CID 15219849) is 2-(4-sulfanyl-1,3-thiazol-2-yl)acetic acid.
What is the SMILES notation for 2-(4-sulfanyl-1,3-thiazol-2-yl)acetic acid?
The canonical SMILES for 2-(4-sulfanyl-1,3-thiazol-2-yl)acetic acid is O=C(O)Cc1nc(S)cs1.
What is the InChIKey of 2-(4-sulfanyl-1,3-thiazol-2-yl)acetic acid?
The InChIKey is AKWYSNBVISUDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S2/c7-5(8)1-4-6-3(9)2-10-4/h2,9H,1H2,(H,7,8).
What are the key properties of 2-(4-sulfanyl-1,3-thiazol-2-yl)acetic acid?
2-(4-sulfanyl-1,3-thiazol-2-yl)acetic acid has a molecular weight of 175.23 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfanyl-1,3-thiazol-2-yl)acetic acid is sourced from PubChem (CID 15219849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).