2-butoxy-1,3-thiazole-5-sulfonamide

C7H12N2O3S2 — CID 22406976

IUPAC2-butoxy-1,3-thiazole-5-sulfonamide
SMILESCCCCOc1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C7H12N2O3S2/c1-2-3-4-12-7-9-5-6(13-7)14(8,10)11/h5H,2-4H2,1H3,(H2,8,10,11)
InChIKeyOTHQZTCWPXITPV-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.97
Rot. Bonds5

About 2-butoxy-1,3-thiazole-5-sulfonamide

2-butoxy-1,3-thiazole-5-sulfonamide (PubChem CID 22406976) has the molecular formula C7H12N2O3S2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-butoxy-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-butoxy-1,3-thiazole-5-sulfonamide
PubChem CID22406976
Molecular FormulaC7H12N2O3S2
Molecular Weight236.32 g/mol
Exact Mass236.03
IUPAC Name2-butoxy-1,3-thiazole-5-sulfonamide
SMILESCCCCOc1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C7H12N2O3S2/c1-2-3-4-12-7-9-5-6(13-7)14(8,10)11/h5H,2-4H2,1H3,(H2,8,10,11)
InChIKeyOTHQZTCWPXITPV-UHFFFAOYSA-N
XLogP0.97
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-butoxy-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-butoxy-1,3-thiazole-5-sulfonamide (CID 22406976) is 2-butoxy-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-butoxy-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-butoxy-1,3-thiazole-5-sulfonamide is CCCCOc1ncc(S(N)(=O)=O)s1.
What is the InChIKey of 2-butoxy-1,3-thiazole-5-sulfonamide?
The InChIKey is OTHQZTCWPXITPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S2/c1-2-3-4-12-7-9-5-6(13-7)14(8,10)11/h5H,2-4H2,1H3,(H2,8,10,11).
What are the key properties of 2-butoxy-1,3-thiazole-5-sulfonamide?
2-butoxy-1,3-thiazole-5-sulfonamide has a molecular weight of 236.32 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 22406976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).