2-[1-hydroxy-2-(methoxymethoxy)ethyl]-1,3-thiazole-5-sulfonamide

C7H12N2O5S2 — CID 22407001

IUPAC2-[1-hydroxy-2-(methoxymethoxy)ethyl]-1,3-thiazole-5-sulfonamide
SMILESCOCOCC(O)c1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C7H12N2O5S2/c1-13-4-14-3-5(10)7-9-2-6(15-7)16(8,11)12/h2,5,10H,3-4H2,1H3,(H2,8,11,12)
InChIKeyQLPZTSGHUTZAAP-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.56
Rot. Bonds6

About 2-[1-hydroxy-2-(methoxymethoxy)ethyl]-1,3-thiazole-5-sulfonamide

2-[1-hydroxy-2-(methoxymethoxy)ethyl]-1,3-thiazole-5-sulfonamide (PubChem CID 22407001) has the molecular formula C7H12N2O5S2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[1-hydroxy-2-(methoxymethoxy)ethyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[1-hydroxy-2-(methoxymethoxy)ethyl]-1,3-thiazole-5-sulfonamide
PubChem CID22407001
Molecular FormulaC7H12N2O5S2
Molecular Weight268.32 g/mol
Exact Mass268.02
IUPAC Name2-[1-hydroxy-2-(methoxymethoxy)ethyl]-1,3-thiazole-5-sulfonamide
SMILESCOCOCC(O)c1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C7H12N2O5S2/c1-13-4-14-3-5(10)7-9-2-6(15-7)16(8,11)12/h2,5,10H,3-4H2,1H3,(H2,8,11,12)
InChIKeyQLPZTSGHUTZAAP-UHFFFAOYSA-N
XLogP-0.56
TPSA111.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxy-2-(methoxymethoxy)ethyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[1-hydroxy-2-(methoxymethoxy)ethyl]-1,3-thiazole-5-sulfonamide (CID 22407001) is 2-[1-hydroxy-2-(methoxymethoxy)ethyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[1-hydroxy-2-(methoxymethoxy)ethyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[1-hydroxy-2-(methoxymethoxy)ethyl]-1,3-thiazole-5-sulfonamide is COCOCC(O)c1ncc(S(N)(=O)=O)s1.
What is the InChIKey of 2-[1-hydroxy-2-(methoxymethoxy)ethyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is QLPZTSGHUTZAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O5S2/c1-13-4-14-3-5(10)7-9-2-6(15-7)16(8,11)12/h2,5,10H,3-4H2,1H3,(H2,8,11,12).
What are the key properties of 2-[1-hydroxy-2-(methoxymethoxy)ethyl]-1,3-thiazole-5-sulfonamide?
2-[1-hydroxy-2-(methoxymethoxy)ethyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 268.32 g/mol, XLogP of -0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxy-2-(methoxymethoxy)ethyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 22407001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).