2-(2-methyl-1,3-thiazol-4-yl)ethanesulfonamide

C6H10N2O2S2 — CID 130905513

IUPAC2-(2-methyl-1,3-thiazol-4-yl)ethanesulfonamide
SMILESCc1nc(CCS(N)(=O)=O)cs1
InChIInChI=1S/C6H10N2O2S2/c1-5-8-6(4-11-5)2-3-12(7,9)10/h4H,2-3H2,1H3,(H2,7,9,10)
InChIKeyLQJZGQWDYRQUQY-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.28
Rot. Bonds3

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

2-(2-methyl-1,3-thiazol-4-yl)ethanesulfonamide (PubChem CID 130905513) has the molecular formula C6H10N2O2S2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)ethanesulfonamide
PubChem CID130905513
Molecular FormulaC6H10N2O2S2
Molecular Weight206.29 g/mol
Exact Mass206.02
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)ethanesulfonamide
SMILESCc1nc(CCS(N)(=O)=O)cs1
InChIInChI=1S/C6H10N2O2S2/c1-5-8-6(4-11-5)2-3-12(7,9)10/h4H,2-3H2,1H3,(H2,7,9,10)
InChIKeyLQJZGQWDYRQUQY-UHFFFAOYSA-N
XLogP0.28
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 106049175
2-methyl-4-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888513
2-(2-methyl-1,3-thiazol-4-yl)ethanesulfinic acid
CID 68999544
[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine
CID 58112094
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43745271
5-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]furan-2-sulfonamide
CID 106039792
5-ethylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
CID 65095510
3-ethylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 65093047
1-(2-aminophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 106034147
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
5-amino-2,3-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034183

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)ethanesulfonamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)ethanesulfonamide (CID 130905513) is 2-(2-methyl-1,3-thiazol-4-yl)ethanesulfonamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)ethanesulfonamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)ethanesulfonamide is Cc1nc(CCS(N)(=O)=O)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)ethanesulfonamide?
The InChIKey is LQJZGQWDYRQUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S2/c1-5-8-6(4-11-5)2-3-12(7,9)10/h4H,2-3H2,1H3,(H2,7,9,10).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)ethanesulfonamide?
2-(2-methyl-1,3-thiazol-4-yl)ethanesulfonamide has a molecular weight of 206.29 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)ethanesulfonamide is sourced from PubChem (CID 130905513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).