4-methyl-2-oxo-N-propyl-3H-1,3-thiazole-5-sulfonamide

C7H12N2O3S2 — CID 43243223

IUPAC4-methyl-2-oxo-N-propyl-3H-1,3-thiazole-5-sulfonamide
SMILESCCCNS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C7H12N2O3S2/c1-3-4-8-14(11,12)6-5(2)9-7(10)13-6/h8H,3-4H2,1-2H3,(H,9,10)
InChIKeyXUWVIJWRSBMFGL-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.43
Rot. Bonds4

About 4-methyl-2-oxo-N-propyl-3H-1,3-thiazole-5-sulfonamide

4-methyl-2-oxo-N-propyl-3H-1,3-thiazole-5-sulfonamide (PubChem CID 43243223) has the molecular formula C7H12N2O3S2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-propyl-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-propyl-3H-1,3-thiazole-5-sulfonamide
PubChem CID43243223
Molecular FormulaC7H12N2O3S2
Molecular Weight236.32 g/mol
Exact Mass236.03
IUPAC Name4-methyl-2-oxo-N-propyl-3H-1,3-thiazole-5-sulfonamide
SMILESCCCNS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C7H12N2O3S2/c1-3-4-8-14(11,12)6-5(2)9-7(10)13-6/h8H,3-4H2,1-2H3,(H,9,10)
InChIKeyXUWVIJWRSBMFGL-UHFFFAOYSA-N
XLogP0.43
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-propyl-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-oxo-N-propyl-3H-1,3-thiazole-5-sulfonamide (CID 43243223) is 4-methyl-2-oxo-N-propyl-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-oxo-N-propyl-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-oxo-N-propyl-3H-1,3-thiazole-5-sulfonamide is CCCNS(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of 4-methyl-2-oxo-N-propyl-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is XUWVIJWRSBMFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S2/c1-3-4-8-14(11,12)6-5(2)9-7(10)13-6/h8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 4-methyl-2-oxo-N-propyl-3H-1,3-thiazole-5-sulfonamide?
4-methyl-2-oxo-N-propyl-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 236.32 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-propyl-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43243223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).