4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide

C11H14N2O4S2 — CID 60723976

IUPAC4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2sc(=O)[nH]c2C)o1
InChIInChI=1S/C11H14N2O4S2/c1-6-4-5-9(17-6)7(2)13-19(15,16)10-8(3)12-11(14)18-10/h4-5,7,13H,1-3H3,(H,12,14)
InChIKeyFDAZCNOTTXEHJT-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.69
Rot. Bonds4

About 4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide

4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60723976) has the molecular formula C11H14N2O4S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60723976
Molecular FormulaC11H14N2O4S2
Molecular Weight302.38 g/mol
Exact Mass302.04
IUPAC Name4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2sc(=O)[nH]c2C)o1
InChIInChI=1S/C11H14N2O4S2/c1-6-4-5-9(17-6)7(2)13-19(15,16)10-8(3)12-11(14)18-10/h4-5,7,13H,1-3H3,(H,12,14)
InChIKeyFDAZCNOTTXEHJT-UHFFFAOYSA-N
XLogP1.69
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60723976) is 4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2sc(=O)[nH]c2C)o1.
What is the InChIKey of 4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is FDAZCNOTTXEHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S2/c1-6-4-5-9(17-6)7(2)13-19(15,16)10-8(3)12-11(14)18-10/h4-5,7,13H,1-3H3,(H,12,14).
What are the key properties of 4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 302.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60723976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).