5-tert-butyl-1,3-thiazole-2-carboxylic acid

C8H11NO2S — CID 19786348

IUPAC5-tert-butyl-1,3-thiazole-2-carboxylic acid
SMILESCC(C)(C)c1cnc(C(=O)O)s1
InChIInChI=1S/C8H11NO2S/c1-8(2,3)5-4-9-6(12-5)7(10)11/h4H,1-3H3,(H,10,11)
InChIKeyXDQMLLFUFLGRMB-UHFFFAOYSA-N
MW185.25 g/mol
LogP2.14
Rot. Bonds1

About 5-tert-butyl-1,3-thiazole-2-carboxylic acid

5-tert-butyl-1,3-thiazole-2-carboxylic acid (PubChem CID 19786348) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 5-tert-butyl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-tert-butyl-1,3-thiazole-2-carboxylic acid
PubChem CID19786348
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name5-tert-butyl-1,3-thiazole-2-carboxylic acid
SMILESCC(C)(C)c1cnc(C(=O)O)s1
InChIInChI=1S/C8H11NO2S/c1-8(2,3)5-4-9-6(12-5)7(10)11/h4H,1-3H3,(H,10,11)
InChIKeyXDQMLLFUFLGRMB-UHFFFAOYSA-N
XLogP2.14
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-1,3-thiazole-2-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

Related Compounds

5-Methyl-1,3-thiazole-2-carboxylic acid
CID 21877349
Ethyl 5-ethyl-1,3-thiazole-2-carboxylate
CID 20775037
Lithium(1+) ion 5-(propan-2-yl)-1,3-thiazole-2-carboxylate
CID 73554514
Lithium(1+) ion 5-ethyl-1,3-thiazole-2-carboxylate
CID 75480690
5-Tert-butyl-1,3-thiazole-2-carbaldehyde
CID 91647462
Potassium 5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxylate
CID 170915093
1-[5-(2-Fluoropropan-2-yl)-1,3-thiazol-2-yl]ethanone
CID 84770358
5-(2-Fluoropropan-2-yl)-1,3-thiazole-2-carboxylic acid
CID 84771009
5-(1,1-Difluoroethyl)-1,3-thiazole-2-carboxylic acid
CID 84772561
2-[5-(2-Fluoropropan-2-yl)-1,3-thiazol-2-yl]acetic acid
CID 84777172
2-[5-(2-Fluoropropan-2-yl)-1,3-thiazol-2-yl]propanoic acid
CID 84785227
2-[5-(2-Fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanoic acid
CID 84794365

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-tert-butyl-1,3-thiazole-2-carboxylic acid (CID 19786348) is 5-tert-butyl-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-tert-butyl-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-tert-butyl-1,3-thiazole-2-carboxylic acid is CC(C)(C)c1cnc(C(=O)O)s1.
What is the InChIKey of 5-tert-butyl-1,3-thiazole-2-carboxylic acid?
The InChIKey is XDQMLLFUFLGRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-8(2,3)5-4-9-6(12-5)7(10)11/h4H,1-3H3,(H,10,11).
What are the key properties of 5-tert-butyl-1,3-thiazole-2-carboxylic acid?
5-tert-butyl-1,3-thiazole-2-carboxylic acid has a molecular weight of 185.25 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 19786348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).