1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonamide

C7H12N2O2S2 — CID 62084042

IUPAC1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonamide
SMILESCc1nc(C(C)S(N)(=O)=O)c(C)s1
InChIInChI=1S/C7H12N2O2S2/c1-4-7(9-6(3)12-4)5(2)13(8,10)11/h5H,1-3H3,(H2,8,10,11)
InChIKeyBHJITSNQCAMIGI-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.11
Rot. Bonds2

About 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonamide

1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonamide (PubChem CID 62084042) has the molecular formula C7H12N2O2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonamide.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonamide
PubChem CID62084042
Molecular FormulaC7H12N2O2S2
Molecular Weight220.32 g/mol
Exact Mass220.03
IUPAC Name1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonamide
SMILESCc1nc(C(C)S(N)(=O)=O)c(C)s1
InChIInChI=1S/C7H12N2O2S2/c1-4-7(9-6(3)12-4)5(2)13(8,10)11/h5H,1-3H3,(H2,8,10,11)
InChIKeyBHJITSNQCAMIGI-UHFFFAOYSA-N
XLogP1.11
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonamide?
The IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonamide (CID 62084042) is 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonamide.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonamide?
The canonical SMILES for 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonamide is Cc1nc(C(C)S(N)(=O)=O)c(C)s1.
What is the InChIKey of 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonamide?
The InChIKey is BHJITSNQCAMIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S2/c1-4-7(9-6(3)12-4)5(2)13(8,10)11/h5H,1-3H3,(H2,8,10,11).
What are the key properties of 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonamide?
1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonamide has a molecular weight of 220.32 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonamide is sourced from PubChem (CID 62084042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).