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

C5H8N2O2S2 — CID 135331184

IUPACN-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide
SMILESCc1nc(NS(C)(=O)=O)cs1
InChIInChI=1S/C5H8N2O2S2/c1-4-6-5(3-10-4)7-11(2,8)9/h3,7H,1-2H3
InChIKeyJNULABHHCDOYCJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.82
Rot. Bonds2

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

N-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide (PubChem CID 135331184) has the molecular formula C5H8N2O2S2 and a molecular weight of 192.26 g/mol. Its IUPAC name is N-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide
PubChem CID135331184
Molecular FormulaC5H8N2O2S2
Molecular Weight192.26 g/mol
Exact Mass192.00
IUPAC NameN-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide
SMILESCc1nc(NS(C)(=O)=O)cs1
InChIInChI=1S/C5H8N2O2S2/c1-4-6-5(3-10-4)7-11(2,8)9/h3,7H,1-2H3
InChIKeyJNULABHHCDOYCJ-UHFFFAOYSA-N
XLogP0.82
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.82
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?
The IUPAC name of N-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide (CID 135331184) is N-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide.
What is the SMILES notation for N-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide?
The canonical SMILES for N-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide is Cc1nc(NS(C)(=O)=O)cs1.
What is the InChIKey of N-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide?
The InChIKey is JNULABHHCDOYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S2/c1-4-6-5(3-10-4)7-11(2,8)9/h3,7H,1-2H3.
What are the key properties of N-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide?
N-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide has a molecular weight of 192.26 g/mol, XLogP of 0.82, 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 is sourced from PubChem (CID 135331184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).