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

C4H6N2O2S2 — CID 135331205

IUPACN-(1,3-thiazol-4-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cscn1
InChIInChI=1S/C4H6N2O2S2/c1-10(7,8)6-4-2-9-3-5-4/h2-3,6H,1H3
InChIKeyITVLBAGYDBFDQH-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.51
Rot. Bonds2

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

N-(1,3-thiazol-4-yl)methanesulfonamide (PubChem CID 135331205) has the molecular formula C4H6N2O2S2 and a molecular weight of 178.24 g/mol. Its IUPAC name is N-(1,3-thiazol-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,3-thiazol-4-yl)methanesulfonamide
PubChem CID135331205
Molecular FormulaC4H6N2O2S2
Molecular Weight178.24 g/mol
Exact Mass177.99
IUPAC NameN-(1,3-thiazol-4-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cscn1
InChIInChI=1S/C4H6N2O2S2/c1-10(7,8)6-4-2-9-3-5-4/h2-3,6H,1H3
InChIKeyITVLBAGYDBFDQH-UHFFFAOYSA-N
XLogP0.51
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-yl)methanesulfonamide?
The IUPAC name of N-(1,3-thiazol-4-yl)methanesulfonamide (CID 135331205) is N-(1,3-thiazol-4-yl)methanesulfonamide.
What is the SMILES notation for N-(1,3-thiazol-4-yl)methanesulfonamide?
The canonical SMILES for N-(1,3-thiazol-4-yl)methanesulfonamide is CS(=O)(=O)Nc1cscn1.
What is the InChIKey of N-(1,3-thiazol-4-yl)methanesulfonamide?
The InChIKey is ITVLBAGYDBFDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2S2/c1-10(7,8)6-4-2-9-3-5-4/h2-3,6H,1H3.
What are the key properties of N-(1,3-thiazol-4-yl)methanesulfonamide?
N-(1,3-thiazol-4-yl)methanesulfonamide has a molecular weight of 178.24 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-yl)methanesulfonamide is sourced from PubChem (CID 135331205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).