5-[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylic acid

C8H10N2O5S2 — CID 107215906

IUPAC5-[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1S(=O)(=O)N1CC(CO)C1
InChIInChI=1S/C8H10N2O5S2/c11-3-5-1-10(2-5)17(14,15)8-6(7(12)13)9-4-16-8/h4-5,11H,1-3H2,(H,12,13)
InChIKeyFWLFTHLCXGEHAC-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.55
Rot. Bonds4

About 5-[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylic acid

5-[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylic acid (PubChem CID 107215906) has the molecular formula C8H10N2O5S2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylic acid
PubChem CID107215906
Molecular FormulaC8H10N2O5S2
Molecular Weight278.31 g/mol
Exact Mass278.00
IUPAC Name5-[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1S(=O)(=O)N1CC(CO)C1
InChIInChI=1S/C8H10N2O5S2/c11-3-5-1-10(2-5)17(14,15)8-6(7(12)13)9-4-16-8/h4-5,11H,1-3H2,(H,12,13)
InChIKeyFWLFTHLCXGEHAC-UHFFFAOYSA-N
XLogP-0.55
TPSA107.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylic acid (CID 107215906) is 5-[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1S(=O)(=O)N1CC(CO)C1.
What is the InChIKey of 5-[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is FWLFTHLCXGEHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5S2/c11-3-5-1-10(2-5)17(14,15)8-6(7(12)13)9-4-16-8/h4-5,11H,1-3H2,(H,12,13).
What are the key properties of 5-[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylic acid?
5-[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 107215906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).