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

C5H8N2O2S2 — CID 1228168

IUPACN-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
SMILESCc1csc(NS(C)(=O)=O)n1
InChIInChI=1S/C5H8N2O2S2/c1-4-3-10-5(6-4)7-11(2,8)9/h3H,1-2H3,(H,6,7)
InChIKeyAFJSSBJIJOHYLB-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.82
Rot. Bonds2

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

N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide (PubChem CID 1228168) has the molecular formula C5H8N2O2S2 and a molecular weight of 192.26 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
PubChem CID1228168
Molecular FormulaC5H8N2O2S2
Molecular Weight192.26 g/mol
Exact Mass192.00
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
SMILESCc1csc(NS(C)(=O)=O)n1
InChIInChI=1S/C5H8N2O2S2/c1-4-3-10-5(6-4)7-11(2,8)9/h3H,1-2H3,(H,6,7)
InChIKeyAFJSSBJIJOHYLB-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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Related Compounds

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2-Thiazolamine, 4-methyl-, hydrochloride (1:1)
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Famotidine sulfoxide
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3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-methylsulfonylpropanimidamide
CID 12881447
3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-(methylsulfamoyl)propanimidamide
CID 12918382
4-Ethyl-1,3-thiazol-2-amine
CID 12378205
S-((2-Guanidino-4-thiazoyl)methyl) isothiourea hydrochloride
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Tuvatidine
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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide (CID 1228168) is N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide is Cc1csc(NS(C)(=O)=O)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide?
The InChIKey is AFJSSBJIJOHYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S2/c1-4-3-10-5(6-4)7-11(2,8)9/h3H,1-2H3,(H,6,7).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide?
N-(4-methyl-1,3-thiazol-2-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-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 1228168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).