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

C14H23N3O2S — CID 79393186

IUPAC4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(N2CCN(C(C)C)CC2)sc1C(=O)O
InChIInChI=1S/C14H23N3O2S/c1-9(2)11-12(13(18)19)20-14(15-11)17-7-5-16(6-8-17)10(3)4/h9-10H,5-8H2,1-4H3,(H,18,19)
InChIKeyOUXZSGZEPIJSTR-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.50
Rot. Bonds4

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

4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 79393186) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID79393186
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(N2CCN(C(C)C)CC2)sc1C(=O)O
InChIInChI=1S/C14H23N3O2S/c1-9(2)11-12(13(18)19)20-14(15-11)17-7-5-16(6-8-17)10(3)4/h9-10H,5-8H2,1-4H3,(H,18,19)
InChIKeyOUXZSGZEPIJSTR-UHFFFAOYSA-N
XLogP2.50
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-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

Related Compounds

2-(azepan-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79393406
2-(3,4-dimethylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79393192
4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 79393172
methyl 4-amino-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 46507857
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79396833
2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79392565
piperazin-1-yl-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone
CID 82435601
4-propan-2-yl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 114597307
2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 83221810
ethyl 2-piperazin-1-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate
CID 57037408
1-[2-(4-butan-2-ylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 55116728
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79396690

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid (CID 79393186) is 4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid is CC(C)c1nc(N2CCN(C(C)C)CC2)sc1C(=O)O.
What is the InChIKey of 4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is OUXZSGZEPIJSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-9(2)11-12(13(18)19)20-14(15-11)17-7-5-16(6-8-17)10(3)4/h9-10H,5-8H2,1-4H3,(H,18,19).
What are the key properties of 4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid?
4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 297.42 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 79393186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).