2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetic acid

C6H8N2O4S2 — CID 3159575

IUPAC2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetic acid
SMILESCS(=O)(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C6H8N2O4S2/c1-14(11,12)8-6-7-4(3-13-6)2-5(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyFOYGOEJLNFZKGH-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.14
Rot. Bonds4

About 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetic acid

2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetic acid (PubChem CID 3159575) has the molecular formula C6H8N2O4S2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetic acid
PubChem CID3159575
Molecular FormulaC6H8N2O4S2
Molecular Weight236.27 g/mol
Exact Mass235.99
IUPAC Name2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetic acid
SMILESCS(=O)(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C6H8N2O4S2/c1-14(11,12)8-6-7-4(3-13-6)2-5(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyFOYGOEJLNFZKGH-UHFFFAOYSA-N
XLogP0.14
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetic acid (CID 3159575) is 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetic acid is CS(=O)(=O)Nc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is FOYGOEJLNFZKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4S2/c1-14(11,12)8-6-7-4(3-13-6)2-5(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetic acid?
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 236.27 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 3159575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).