N-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide;hydrochloride

C5H9ClN2O2S2 — CID 135331183

IUPACN-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide;hydrochloride
SMILESCc1nc(NS(C)(=O)=O)cs1.Cl
InChIInChI=1S/C5H8N2O2S2.ClH/c1-4-6-5(3-10-4)7-11(2,8)9;/h3,7H,1-2H3;1H
InChIKeyGHMYCOWVHAOUDI-UHFFFAOYSA-N
MW228.73 g/mol
LogP1.24
Rot. Bonds2

About N-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide;hydrochloride

N-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide;hydrochloride (PubChem CID 135331183) has the molecular formula C5H9ClN2O2S2 and a molecular weight of 228.73 g/mol. Its IUPAC name is N-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide;hydrochloride
PubChem CID135331183
Molecular FormulaC5H9ClN2O2S2
Molecular Weight228.73 g/mol
Exact Mass227.98
IUPAC NameN-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide;hydrochloride
SMILESCc1nc(NS(C)(=O)=O)cs1.Cl
InChIInChI=1S/C5H8N2O2S2.ClH/c1-4-6-5(3-10-4)7-11(2,8)9;/h3,7H,1-2H3;1H
InChIKeyGHMYCOWVHAOUDI-UHFFFAOYSA-N
XLogP1.24
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
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-methyl-1,3-thiazol-4-yl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide;hydrochloride (CID 135331183) is N-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide;hydrochloride is Cc1nc(NS(C)(=O)=O)cs1.Cl.
What is the InChIKey of N-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide;hydrochloride?
The InChIKey is GHMYCOWVHAOUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S2.ClH/c1-4-6-5(3-10-4)7-11(2,8)9;/h3,7H,1-2H3;1H.
What are the key properties of N-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide;hydrochloride?
N-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide;hydrochloride has a molecular weight of 228.73 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 135331183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).