N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanesulfonamide

C9H16N2O2S2 — CID 18561552

IUPACN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1sc(C)nc1C
InChIInChI=1S/C9H16N2O2S2/c1-4-15(12,13)10-6-5-9-7(2)11-8(3)14-9/h10H,4-6H2,1-3H3
InChIKeyBOZSIZAWHHLCBS-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.24
Rot. Bonds5

About N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanesulfonamide

N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanesulfonamide (PubChem CID 18561552) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanesulfonamide
PubChem CID18561552
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1sc(C)nc1C
InChIInChI=1S/C9H16N2O2S2/c1-4-15(12,13)10-6-5-9-7(2)11-8(3)14-9/h10H,4-6H2,1-3H3
InChIKeyBOZSIZAWHHLCBS-UHFFFAOYSA-N
XLogP1.24
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanesulfonamide (CID 18561552) is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1sc(C)nc1C.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanesulfonamide?
The InChIKey is BOZSIZAWHHLCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-4-15(12,13)10-6-5-9-7(2)11-8(3)14-9/h10H,4-6H2,1-3H3.
What are the key properties of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanesulfonamide?
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanesulfonamide has a molecular weight of 248.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 18561552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).