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

C10H15NO3S — CID 19885507

IUPAC4-tert-butyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(C(C)(C)C)c(C(=O)O)s1
InChIInChI=1S/C10H15NO3S/c1-10(2,3)8-7(9(12)13)15-6(11-8)5-14-4/h5H2,1-4H3,(H,12,13)
InChIKeyIBIYXFXZJWZCBW-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.29
Rot. Bonds3

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

4-tert-butyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 19885507) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-tert-butyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID19885507
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name4-tert-butyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(C(C)(C)C)c(C(=O)O)s1
InChIInChI=1S/C10H15NO3S/c1-10(2,3)8-7(9(12)13)15-6(11-8)5-14-4/h5H2,1-4H3,(H,12,13)
InChIKeyIBIYXFXZJWZCBW-UHFFFAOYSA-N
XLogP2.29
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 70368097
4-Tert-butyl-1,3-thiazole-5-carboxylic acid
CID 13015605
4-Ethyl-2-methyl-1,3-thiazole-5-carboxylic acid
CID 14648765
4-Tert-butyl-2-methyl-1,3-thiazole-5-carboxylic acid
CID 19885551
2-(Methoxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20088075
Methyl 2-bromo-4-(tert-butyl)thiazole-5-carboxylate
CID 13015618
2-Fluoro-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 19885487
4-Ethyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 19885527
2-Methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid
CID 19885541
4-Tert-butyl-2-fluoro-1,3-thiazole-5-carboxylic acid
CID 19885556
4-(1-Fluoroethyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 85797292
4-(2,2-Difluoroethyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 177715913

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-tert-butyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (CID 19885507) is 4-tert-butyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-tert-butyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is COCc1nc(C(C)(C)C)c(C(=O)O)s1.
What is the InChIKey of 4-tert-butyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is IBIYXFXZJWZCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-10(2,3)8-7(9(12)13)15-6(11-8)5-14-4/h5H2,1-4H3,(H,12,13).
What are the key properties of 4-tert-butyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
4-tert-butyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 229.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 19885507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).