4-(methoxymethyl)-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid

C10H14N2O4S — CID 82226605

IUPAC4-(methoxymethyl)-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(NC(=O)C(C)C)sc1C(=O)O
InChIInChI=1S/C10H14N2O4S/c1-5(2)8(13)12-10-11-6(4-16-3)7(17-10)9(14)15/h5H,4H2,1-3H3,(H,14,15)(H,11,12,13)
InChIKeyIPQMUMDHHMOZMO-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.58
Rot. Bonds5

About 4-(methoxymethyl)-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid

4-(methoxymethyl)-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 82226605) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID82226605
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name4-(methoxymethyl)-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(NC(=O)C(C)C)sc1C(=O)O
InChIInChI=1S/C10H14N2O4S/c1-5(2)8(13)12-10-11-6(4-16-3)7(17-10)9(14)15/h5H,4H2,1-3H3,(H,14,15)(H,11,12,13)
InChIKeyIPQMUMDHHMOZMO-UHFFFAOYSA-N
XLogP1.58
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(methoxymethyl)-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid (CID 82226605) is 4-(methoxymethyl)-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(methoxymethyl)-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(methoxymethyl)-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid is COCc1nc(NC(=O)C(C)C)sc1C(=O)O.
What is the InChIKey of 4-(methoxymethyl)-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is IPQMUMDHHMOZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-5(2)8(13)12-10-11-6(4-16-3)7(17-10)9(14)15/h5H,4H2,1-3H3,(H,14,15)(H,11,12,13).
What are the key properties of 4-(methoxymethyl)-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid?
4-(methoxymethyl)-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 258.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82226605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).