4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid

C9H12N2O3S — CID 6484194

IUPAC4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CCOCC2)sc1C(=O)O
InChIInChI=1S/C9H12N2O3S/c1-6-7(8(12)13)15-9(10-6)11-2-4-14-5-3-11/h2-5H2,1H3,(H,12,13)
InChIKeyIGJJRJBRRJIZBH-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.99
Rot. Bonds2

About 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid

4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 6484194) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
PubChem CID6484194
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CCOCC2)sc1C(=O)O
InChIInChI=1S/C9H12N2O3S/c1-6-7(8(12)13)15-9(10-6)11-2-4-14-5-3-11/h2-5H2,1H3,(H,12,13)
InChIKeyIGJJRJBRRJIZBH-UHFFFAOYSA-N
XLogP0.99
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid (CID 6484194) is 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid is Cc1nc(N2CCOCC2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is IGJJRJBRRJIZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-6-7(8(12)13)15-9(10-6)11-2-4-14-5-3-11/h2-5H2,1H3,(H,12,13).
What are the key properties of 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 228.27 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 6484194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).