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

C9H13NO3S — CID 19885575

IUPAC2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(C(C)C)c(C(=O)O)s1
InChIInChI=1S/C9H13NO3S/c1-5(2)7-8(9(11)12)14-6(10-7)4-13-3/h5H,4H2,1-3H3,(H,11,12)
InChIKeyGKLIITQQYVTIKX-UHFFFAOYSA-N
MW215.27 g/mol
LogP2.11
Rot. Bonds4

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

2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 19885575) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID19885575
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(C(C)C)c(C(=O)O)s1
InChIInChI=1S/C9H13NO3S/c1-5(2)7-8(9(11)12)14-6(10-7)4-13-3/h5H,4H2,1-3H3,(H,11,12)
InChIKeyGKLIITQQYVTIKX-UHFFFAOYSA-N
XLogP2.11
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (CID 19885575) is 2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is COCc1nc(C(C)C)c(C(=O)O)s1.
What is the InChIKey of 2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is GKLIITQQYVTIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-5(2)7-8(9(11)12)14-6(10-7)4-13-3/h5H,4H2,1-3H3,(H,11,12).
What are the key properties of 2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 215.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 19885575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).