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

C7H10N2O5S2 — CID 22406996

IUPAC2-[2-(methoxymethoxy)acetyl]-1,3-thiazole-5-sulfonamide
SMILESCOCOCC(=O)c1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C7H10N2O5S2/c1-13-4-14-3-5(10)7-9-2-6(15-7)16(8,11)12/h2H,3-4H2,1H3,(H2,8,11,12)
InChIKeyLWPJGRCKAXMFGF-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.41
Rot. Bonds6

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

2-[2-(methoxymethoxy)acetyl]-1,3-thiazole-5-sulfonamide (PubChem CID 22406996) has the molecular formula C7H10N2O5S2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[2-(methoxymethoxy)acetyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[2-(methoxymethoxy)acetyl]-1,3-thiazole-5-sulfonamide
PubChem CID22406996
Molecular FormulaC7H10N2O5S2
Molecular Weight266.30 g/mol
Exact Mass266.00
IUPAC Name2-[2-(methoxymethoxy)acetyl]-1,3-thiazole-5-sulfonamide
SMILESCOCOCC(=O)c1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C7H10N2O5S2/c1-13-4-14-3-5(10)7-9-2-6(15-7)16(8,11)12/h2H,3-4H2,1H3,(H2,8,11,12)
InChIKeyLWPJGRCKAXMFGF-UHFFFAOYSA-N
XLogP-0.41
TPSA108.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
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-[2-(methoxymethoxy)acetyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[2-(methoxymethoxy)acetyl]-1,3-thiazole-5-sulfonamide (CID 22406996) is 2-[2-(methoxymethoxy)acetyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[2-(methoxymethoxy)acetyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[2-(methoxymethoxy)acetyl]-1,3-thiazole-5-sulfonamide is COCOCC(=O)c1ncc(S(N)(=O)=O)s1.
What is the InChIKey of 2-[2-(methoxymethoxy)acetyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is LWPJGRCKAXMFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5S2/c1-13-4-14-3-5(10)7-9-2-6(15-7)16(8,11)12/h2H,3-4H2,1H3,(H2,8,11,12).
What are the key properties of 2-[2-(methoxymethoxy)acetyl]-1,3-thiazole-5-sulfonamide?
2-[2-(methoxymethoxy)acetyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 266.30 g/mol, XLogP of -0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethoxy)acetyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 22406996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).