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

C14H23NO3S — CID 114359467

IUPAC4-tert-butyl-2-(3-methoxypentan-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCC(CC)(OC)c1nc(C(C)(C)C)c(C(=O)O)s1
InChIInChI=1S/C14H23NO3S/c1-7-14(8-2,18-6)12-15-10(13(3,4)5)9(19-12)11(16)17/h7-8H2,1-6H3,(H,16,17)
InChIKeyHULSXWMFBMIHIO-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.80
Rot. Bonds5

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

4-tert-butyl-2-(3-methoxypentan-3-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114359467) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-tert-butyl-2-(3-methoxypentan-3-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-2-(3-methoxypentan-3-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID114359467
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name4-tert-butyl-2-(3-methoxypentan-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCC(CC)(OC)c1nc(C(C)(C)C)c(C(=O)O)s1
InChIInChI=1S/C14H23NO3S/c1-7-14(8-2,18-6)12-15-10(13(3,4)5)9(19-12)11(16)17/h7-8H2,1-6H3,(H,16,17)
InChIKeyHULSXWMFBMIHIO-UHFFFAOYSA-N
XLogP3.80
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-2-(3-methoxypentan-3-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 4-tert-butyl-2-(3-methoxypentan-3-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-tert-butyl-2-(3-methoxypentan-3-yl)-1,3-thiazole-5-carboxylic acid (CID 114359467) is 4-tert-butyl-2-(3-methoxypentan-3-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-2-(3-methoxypentan-3-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-tert-butyl-2-(3-methoxypentan-3-yl)-1,3-thiazole-5-carboxylic acid is CCC(CC)(OC)c1nc(C(C)(C)C)c(C(=O)O)s1.
What is the InChIKey of 4-tert-butyl-2-(3-methoxypentan-3-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is HULSXWMFBMIHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-7-14(8-2,18-6)12-15-10(13(3,4)5)9(19-12)11(16)17/h7-8H2,1-6H3,(H,16,17).
What are the key properties of 4-tert-butyl-2-(3-methoxypentan-3-yl)-1,3-thiazole-5-carboxylic acid?
4-tert-butyl-2-(3-methoxypentan-3-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 285.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(3-methoxypentan-3-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114359467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).