5-amino-2-(5-methyloxolan-2-yl)-1,3-thiazole-4-carboxylic acid

C9H12N2O3S — CID 103199913

IUPAC5-amino-2-(5-methyloxolan-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESCC1CCC(c2nc(C(=O)O)c(N)s2)O1
InChIInChI=1S/C9H12N2O3S/c1-4-2-3-5(14-4)8-11-6(9(12)13)7(10)15-8/h4-5H,2-3,10H2,1H3,(H,12,13)
InChIKeyKDAKNRYUQVYGDQ-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.66
Rot. Bonds2

About 5-amino-2-(5-methyloxolan-2-yl)-1,3-thiazole-4-carboxylic acid

5-amino-2-(5-methyloxolan-2-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 103199913) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 5-amino-2-(5-methyloxolan-2-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(5-methyloxolan-2-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID103199913
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name5-amino-2-(5-methyloxolan-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESCC1CCC(c2nc(C(=O)O)c(N)s2)O1
InChIInChI=1S/C9H12N2O3S/c1-4-2-3-5(14-4)8-11-6(9(12)13)7(10)15-8/h4-5H,2-3,10H2,1H3,(H,12,13)
InChIKeyKDAKNRYUQVYGDQ-UHFFFAOYSA-N
XLogP1.66
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-methyloxolan-2-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-(5-methyloxolan-2-yl)-1,3-thiazole-4-carboxylic acid (CID 103199913) is 5-amino-2-(5-methyloxolan-2-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-(5-methyloxolan-2-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-(5-methyloxolan-2-yl)-1,3-thiazole-4-carboxylic acid is CC1CCC(c2nc(C(=O)O)c(N)s2)O1.
What is the InChIKey of 5-amino-2-(5-methyloxolan-2-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is KDAKNRYUQVYGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-4-2-3-5(14-4)8-11-6(9(12)13)7(10)15-8/h4-5H,2-3,10H2,1H3,(H,12,13).
What are the key properties of 5-amino-2-(5-methyloxolan-2-yl)-1,3-thiazole-4-carboxylic acid?
5-amino-2-(5-methyloxolan-2-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 228.27 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-methyloxolan-2-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 103199913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).