2-(4-tert-butylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid

C13H19N3O3S — CID 116696809

IUPAC2-(4-tert-butylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)N1CCN(C(=O)c2nc(C(=O)O)cs2)CC1
InChIInChI=1S/C13H19N3O3S/c1-13(2,3)16-6-4-15(5-7-16)11(17)10-14-9(8-20-10)12(18)19/h8H,4-7H2,1-3H3,(H,18,19)
InChIKeyQTSCSARLRNSCRM-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.40
Rot. Bonds2

About 2-(4-tert-butylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid

2-(4-tert-butylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 116696809) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-tert-butylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
PubChem CID116696809
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-(4-tert-butylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)N1CCN(C(=O)c2nc(C(=O)O)cs2)CC1
InChIInChI=1S/C13H19N3O3S/c1-13(2,3)16-6-4-15(5-7-16)11(17)10-14-9(8-20-10)12(18)19/h8H,4-7H2,1-3H3,(H,18,19)
InChIKeyQTSCSARLRNSCRM-UHFFFAOYSA-N
XLogP1.40
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-tert-butylpiperazine-1-carbonyl)-1,3-thiazole-4-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-(4-tert-butylazepane-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697187
2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568443
2-(4-cyclopentylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697045
2-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 103357450
2-(3-hydroxypyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697079
2-(4-ethylazepane-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697184
(6-bromo-2-pyridinyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 103916743
(6-aminopyridazin-3-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 62186658
2-(morpholine-4-carbonyl)-1,3-thiazole-4-carboxamide
CID 174869573
2-(2,3-dimethylthiomorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697506
2-(2,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697235
N-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158373

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-tert-butylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid (CID 116696809) is 2-(4-tert-butylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-tert-butylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-tert-butylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid is CC(C)(C)N1CCN(C(=O)c2nc(C(=O)O)cs2)CC1.
What is the InChIKey of 2-(4-tert-butylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is QTSCSARLRNSCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-13(2,3)16-6-4-15(5-7-16)11(17)10-14-9(8-20-10)12(18)19/h8H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-tert-butylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
2-(4-tert-butylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116696809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).