2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide

C6H11N3O3S2 — CID 91812348

IUPAC2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide
SMILESCOCCNS(=O)(=O)c1cnc(N)s1
InChIInChI=1S/C6H11N3O3S2/c1-12-3-2-9-14(10,11)5-4-8-6(7)13-5/h4,9H,2-3H2,1H3,(H2,7,8)
InChIKeyYAXKHFVFXXIGLP-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.35
Rot. Bonds5

About 2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide

2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 91812348) has the molecular formula C6H11N3O3S2 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide
PubChem CID91812348
Molecular FormulaC6H11N3O3S2
Molecular Weight237.31 g/mol
Exact Mass237.02
IUPAC Name2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide
SMILESCOCCNS(=O)(=O)c1cnc(N)s1
InChIInChI=1S/C6H11N3O3S2/c1-12-3-2-9-14(10,11)5-4-8-6(7)13-5/h4,9H,2-3H2,1H3,(H2,7,8)
InChIKeyYAXKHFVFXXIGLP-UHFFFAOYSA-N
XLogP-0.35
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide (CID 91812348) is 2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide is COCCNS(=O)(=O)c1cnc(N)s1.
What is the InChIKey of 2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is YAXKHFVFXXIGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3S2/c1-12-3-2-9-14(10,11)5-4-8-6(7)13-5/h4,9H,2-3H2,1H3,(H2,7,8).
What are the key properties of 2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide?
2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 237.31 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 91812348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).