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

C13H19NO2S — CID 107925329

IUPAC4-tert-butyl-2-(2,2-dimethylcyclopropyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(C2CC2(C)C)sc1C(=O)O
InChIInChI=1S/C13H19NO2S/c1-12(2,3)9-8(11(15)16)17-10(14-9)7-6-13(7,4)5/h7H,6H2,1-5H3,(H,15,16)
InChIKeySEEFNCUCKPVOAR-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.65
Rot. Bonds2

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

4-tert-butyl-2-(2,2-dimethylcyclopropyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 107925329) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-tert-butyl-2-(2,2-dimethylcyclopropyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-2-(2,2-dimethylcyclopropyl)-1,3-thiazole-5-carboxylic acid
PubChem CID107925329
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name4-tert-butyl-2-(2,2-dimethylcyclopropyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(C2CC2(C)C)sc1C(=O)O
InChIInChI=1S/C13H19NO2S/c1-12(2,3)9-8(11(15)16)17-10(14-9)7-6-13(7,4)5/h7H,6H2,1-5H3,(H,15,16)
InChIKeySEEFNCUCKPVOAR-UHFFFAOYSA-N
XLogP3.65
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-2-(2,2-dimethylcyclopropyl)-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

Related Compounds

4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid
CID 114359413
4-tert-butyl-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114359349
4-tert-butyl-2-[cyclopropyl(ethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62765619
4-tert-butyl-2-methoxy-1,3-thiazole-5-carboxylic acid
CID 84681130
4-tert-butyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226722
4-tert-butyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114359338
4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid
CID 114359474
4-tert-butyl-2-[cycloheptyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
CID 63514616
4-tert-butyl-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 104961192
4-tert-butyl-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carboxylic acid
CID 62765613
4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
CID 62764238
2-(1-amino-4-ethylcyclohexyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114358527

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2,2-dimethylcyclopropyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-tert-butyl-2-(2,2-dimethylcyclopropyl)-1,3-thiazole-5-carboxylic acid (CID 107925329) is 4-tert-butyl-2-(2,2-dimethylcyclopropyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-2-(2,2-dimethylcyclopropyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-tert-butyl-2-(2,2-dimethylcyclopropyl)-1,3-thiazole-5-carboxylic acid is CC(C)(C)c1nc(C2CC2(C)C)sc1C(=O)O.
What is the InChIKey of 4-tert-butyl-2-(2,2-dimethylcyclopropyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is SEEFNCUCKPVOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-12(2,3)9-8(11(15)16)17-10(14-9)7-6-13(7,4)5/h7H,6H2,1-5H3,(H,15,16).
What are the key properties of 4-tert-butyl-2-(2,2-dimethylcyclopropyl)-1,3-thiazole-5-carboxylic acid?
4-tert-butyl-2-(2,2-dimethylcyclopropyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 253.37 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2,2-dimethylcyclopropyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 107925329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).