2-[(5-sulfanyl-1,3-thiazol-2-yl)methoxy]acetic acid

C6H7NO3S2 — CID 70583203

IUPAC2-[(5-sulfanyl-1,3-thiazol-2-yl)methoxy]acetic acid
SMILESO=C(O)COCc1ncc(S)s1
InChIInChI=1S/C6H7NO3S2/c8-5(9)3-10-2-4-7-1-6(11)12-4/h1,11H,2-3H2,(H,8,9)
InChIKeyQHSUQGRNEJSRRN-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.03
Rot. Bonds4

About 2-[(5-sulfanyl-1,3-thiazol-2-yl)methoxy]acetic acid

2-[(5-sulfanyl-1,3-thiazol-2-yl)methoxy]acetic acid (PubChem CID 70583203) has the molecular formula C6H7NO3S2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[(5-sulfanyl-1,3-thiazol-2-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(5-sulfanyl-1,3-thiazol-2-yl)methoxy]acetic acid
PubChem CID70583203
Molecular FormulaC6H7NO3S2
Molecular Weight205.26 g/mol
Exact Mass204.99
IUPAC Name2-[(5-sulfanyl-1,3-thiazol-2-yl)methoxy]acetic acid
SMILESO=C(O)COCc1ncc(S)s1
InChIInChI=1S/C6H7NO3S2/c8-5(9)3-10-2-4-7-1-6(11)12-4/h1,11H,2-3H2,(H,8,9)
InChIKeyQHSUQGRNEJSRRN-UHFFFAOYSA-N
XLogP1.03
TPSA59.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-sulfanyl-1,3-thiazol-2-yl)methoxy]acetic acid?
The IUPAC name of 2-[(5-sulfanyl-1,3-thiazol-2-yl)methoxy]acetic acid (CID 70583203) is 2-[(5-sulfanyl-1,3-thiazol-2-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(5-sulfanyl-1,3-thiazol-2-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(5-sulfanyl-1,3-thiazol-2-yl)methoxy]acetic acid is O=C(O)COCc1ncc(S)s1.
What is the InChIKey of 2-[(5-sulfanyl-1,3-thiazol-2-yl)methoxy]acetic acid?
The InChIKey is QHSUQGRNEJSRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S2/c8-5(9)3-10-2-4-7-1-6(11)12-4/h1,11H,2-3H2,(H,8,9).
What are the key properties of 2-[(5-sulfanyl-1,3-thiazol-2-yl)methoxy]acetic acid?
2-[(5-sulfanyl-1,3-thiazol-2-yl)methoxy]acetic acid has a molecular weight of 205.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-sulfanyl-1,3-thiazol-2-yl)methoxy]acetic acid is sourced from PubChem (CID 70583203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).